N-[2-[[3-(deuteriomethoxy)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-3,3-dimethylbutanamide

C15H29N3O5 — CID 167627751

IUPACN-[2-[[3-(deuteriomethoxy)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-3,3-dimethylbutanamide
SMILES[2H]COCC(NC(=O)CNC(=O)CC(C)(C)C)C(=O)NCCOC
InChIInChI=1S/C15H29N3O5/c1-15(2,3)8-12(19)17-9-13(20)18-11(10-23-5)14(21)16-6-7-22-4/h11H,6-10H2,1-5H3,(H,16,21)(H,17,19)(H,18,20)/i5D
InChIKeyPNXCMSGHIGXYRJ-UICOGKGYSA-N
MW332.42 g/mol
LogP-0.57
Rot. Bonds11

About N-[2-[[3-(deuteriomethoxy)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-3,3-dimethylbutanamide

N-[2-[[3-(deuteriomethoxy)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-3,3-dimethylbutanamide (PubChem CID 167627751) has the molecular formula C15H29N3O5 and a molecular weight of 332.42 g/mol. Its IUPAC name is N-[2-[[3-(deuteriomethoxy)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-[[3-(deuteriomethoxy)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-3,3-dimethylbutanamide
PubChem CID167627751
Molecular FormulaC15H29N3O5
Molecular Weight332.42 g/mol
Exact Mass332.22
IUPAC NameN-[2-[[3-(deuteriomethoxy)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-3,3-dimethylbutanamide
SMILES[2H]COCC(NC(=O)CNC(=O)CC(C)(C)C)C(=O)NCCOC
InChIInChI=1S/C15H29N3O5/c1-15(2,3)8-12(19)17-9-13(20)18-11(10-23-5)14(21)16-6-7-22-4/h11H,6-10H2,1-5H3,(H,16,21)(H,17,19)(H,18,20)/i5D
InChIKeyPNXCMSGHIGXYRJ-UICOGKGYSA-N
XLogP-0.57
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[[3-(deuteriomethoxy)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-3,3-dimethylbutanamide with MolForge

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Related Compounds

3-(deuteriomethoxy)-2-[[2-[[2-[[2-[[2-[3-[3-(2,2-dimethylpropoxy)propanoylamino]propanoylamino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide;3-(deuteriomethoxy)-2-[[2-[[2-[[2-[[2-[3-[3-(2,2-dimethylpropoxy)propanoylamino]propanoylamino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-N-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide;(8S,9R,10R,11R)-2-[[3-(deuteriomethoxy)-2-[[2-[[2-[[2-[[2-[3-[3-(2,2-dimethylpropoxy)propanoylamino]propanoylamino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoyl]amino]-8,9,10,11-tetrahydroxy-5-oxo-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]tridecanamide
CID 158926550
N-[2-(3-methoxypropanoylamino)ethyl]-3,3-dimethylbutanamide
CID 108574166
(2S)-3-methoxy-2-[[2-[[2-(propanoylamino)acetyl]amino]acetyl]amino]propanoic acid
CID 89002715
3-methoxy-2-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoylamino]propanoic acid
CID 113405687
3,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butanamide
CID 155613017
2-[[2-(3,3-dimethylbutanoylamino)acetyl]amino]propanoic acid
CID 119225652
2-acetamido-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-sulfanylpropanamide
CID 107769824
3,3-dimethyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]butanamide
CID 135224068
(2S,3S)-2-[[2-(3,3-dimethylbutanoylamino)acetyl]amino]-3-methylpentanoic acid
CID 119194294
3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4,4-dimethylpentanamide
CID 113405165
3,3-dimethyl-N-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 167271345
(2S)-N-benzyl-2-[(2-iodoacetyl)amino]-3-methoxypropanamide
CID 172598061

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(deuteriomethoxy)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-[[3-(deuteriomethoxy)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-3,3-dimethylbutanamide (CID 167627751) is N-[2-[[3-(deuteriomethoxy)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-[[3-(deuteriomethoxy)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-[[3-(deuteriomethoxy)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-3,3-dimethylbutanamide is [2H]COCC(NC(=O)CNC(=O)CC(C)(C)C)C(=O)NCCOC.
What is the InChIKey of N-[2-[[3-(deuteriomethoxy)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-3,3-dimethylbutanamide?
The InChIKey is PNXCMSGHIGXYRJ-UICOGKGYSA-N. The full InChI is InChI=1S/C15H29N3O5/c1-15(2,3)8-12(19)17-9-13(20)18-11(10-23-5)14(21)16-6-7-22-4/h11H,6-10H2,1-5H3,(H,16,21)(H,17,19)(H,18,20)/i5D.
What are the key properties of N-[2-[[3-(deuteriomethoxy)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-3,3-dimethylbutanamide?
N-[2-[[3-(deuteriomethoxy)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-3,3-dimethylbutanamide has a molecular weight of 332.42 g/mol, XLogP of -0.57, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(deuteriomethoxy)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 167627751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).