N-[3-(3-amino-2,2-dimethylpropoxy)-2,2-dimethylpropyl]-4-methoxy-3,3-dimethylbutanamide

C17H36N2O3 — CID 170012588

IUPACN-[3-(3-amino-2,2-dimethylpropoxy)-2,2-dimethylpropyl]-4-methoxy-3,3-dimethylbutanamide
SMILESCOCC(C)(C)CC(=O)NCC(C)(C)COCC(C)(C)CN
InChIInChI=1S/C17H36N2O3/c1-15(2,11-21-7)8-14(20)19-10-17(5,6)13-22-12-16(3,4)9-18/h8-13,18H2,1-7H3,(H,19,20)
InChIKeySVJYZOISDIFWEO-UHFFFAOYSA-N
MW316.49 g/mol
LogP2.19
Rot. Bonds11

About N-[3-(3-amino-2,2-dimethylpropoxy)-2,2-dimethylpropyl]-4-methoxy-3,3-dimethylbutanamide

N-[3-(3-amino-2,2-dimethylpropoxy)-2,2-dimethylpropyl]-4-methoxy-3,3-dimethylbutanamide (PubChem CID 170012588) has the molecular formula C17H36N2O3 and a molecular weight of 316.49 g/mol. Its IUPAC name is N-[3-(3-amino-2,2-dimethylpropoxy)-2,2-dimethylpropyl]-4-methoxy-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[3-(3-amino-2,2-dimethylpropoxy)-2,2-dimethylpropyl]-4-methoxy-3,3-dimethylbutanamide
PubChem CID170012588
Molecular FormulaC17H36N2O3
Molecular Weight316.49 g/mol
Exact Mass316.27
IUPAC NameN-[3-(3-amino-2,2-dimethylpropoxy)-2,2-dimethylpropyl]-4-methoxy-3,3-dimethylbutanamide
SMILESCOCC(C)(C)CC(=O)NCC(C)(C)COCC(C)(C)CN
InChIInChI=1S/C17H36N2O3/c1-15(2,11-21-7)8-14(20)19-10-17(5,6)13-22-12-16(3,4)9-18/h8-13,18H2,1-7H3,(H,19,20)
InChIKeySVJYZOISDIFWEO-UHFFFAOYSA-N
XLogP2.19
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(butanoylamino)-2,2-dimethylpropoxy]-N-[3-[2-(methoxymethyl)-2-methylbutoxy]-2,2-dimethylpropyl]-3,3-dimethylbutanamide
CID 170966709
3-(3-methoxy-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-amine
CID 88929360
N-[3-[3-[3-(3-amino-2,2-dimethylpropoxy)propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]hexadecanamide;ethane
CID 171529103
N-(3-amino-2,2-dimethylpropyl)-4-methoxybutanamide
CID 115365695
N-[3-[3-[(3,3-dimethyl-4-phosphanyloxybutanoyl)amino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]-2,2,5,5-tetramethylhexanamide
CID 170210594
CID 162756197
CID 162756197
4-(3-amino-2,2-dimethylpropoxy)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-3,3-dimethylbutanamide
CID 171653877
4-[2,2-dimethyl-3-(methylamino)propoxy]-N,3,3-trimethylbutanamide
CID 139306329
N-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]propanamide
CID 130332874
4-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-N-(2-methoxyethyl)-3,3-dimethylbutanamide
CID 162756453
5-(3-amino-2,2-dimethylpropoxy)-4,4-dimethylpentanoic acid
CID 169158624
(2S)-2-(hexanoylamino)-7-[[4-(3-methoxy-2,2-dimethylpropoxy)-3,3-dimethylbutanoyl]amino]-N-[3-(3-methoxy-2,2-dimethylpropoxy)-2,2-dimethylpropyl]heptanamide
CID 170966672

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-amino-2,2-dimethylpropoxy)-2,2-dimethylpropyl]-4-methoxy-3,3-dimethylbutanamide?
The IUPAC name of N-[3-(3-amino-2,2-dimethylpropoxy)-2,2-dimethylpropyl]-4-methoxy-3,3-dimethylbutanamide (CID 170012588) is N-[3-(3-amino-2,2-dimethylpropoxy)-2,2-dimethylpropyl]-4-methoxy-3,3-dimethylbutanamide.
What is the SMILES notation for N-[3-(3-amino-2,2-dimethylpropoxy)-2,2-dimethylpropyl]-4-methoxy-3,3-dimethylbutanamide?
The canonical SMILES for N-[3-(3-amino-2,2-dimethylpropoxy)-2,2-dimethylpropyl]-4-methoxy-3,3-dimethylbutanamide is COCC(C)(C)CC(=O)NCC(C)(C)COCC(C)(C)CN.
What is the InChIKey of N-[3-(3-amino-2,2-dimethylpropoxy)-2,2-dimethylpropyl]-4-methoxy-3,3-dimethylbutanamide?
The InChIKey is SVJYZOISDIFWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O3/c1-15(2,11-21-7)8-14(20)19-10-17(5,6)13-22-12-16(3,4)9-18/h8-13,18H2,1-7H3,(H,19,20).
What are the key properties of N-[3-(3-amino-2,2-dimethylpropoxy)-2,2-dimethylpropyl]-4-methoxy-3,3-dimethylbutanamide?
N-[3-(3-amino-2,2-dimethylpropoxy)-2,2-dimethylpropyl]-4-methoxy-3,3-dimethylbutanamide has a molecular weight of 316.49 g/mol, XLogP of 2.19, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-amino-2,2-dimethylpropoxy)-2,2-dimethylpropyl]-4-methoxy-3,3-dimethylbutanamide is sourced from PubChem (CID 170012588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).