N-[(3R)-3-[ethyl(methyl)amino]-1-[methyl(2-methylpropyl)amino]-4-oxobutan-2-yl]-N-methylformamide

C14H29N3O2 — CID 144914010

IUPACN-[(3R)-3-[ethyl(methyl)amino]-1-[methyl(2-methylpropyl)amino]-4-oxobutan-2-yl]-N-methylformamide
SMILESCCN(C)[C@@H](C=O)C(CN(C)CC(C)C)N(C)C=O
InChIInChI=1S/C14H29N3O2/c1-7-16(5)14(10-18)13(17(6)11-19)9-15(4)8-12(2)3/h10-14H,7-9H2,1-6H3/t13?,14-/m0/s1
InChIKeyJREZQAGHSWYMKA-KZUDCZAMSA-N
MW271.40 g/mol
LogP0.55
Rot. Bonds10

About N-[(3R)-3-[ethyl(methyl)amino]-1-[methyl(2-methylpropyl)amino]-4-oxobutan-2-yl]-N-methylformamide

N-[(3R)-3-[ethyl(methyl)amino]-1-[methyl(2-methylpropyl)amino]-4-oxobutan-2-yl]-N-methylformamide (PubChem CID 144914010) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is N-[(3R)-3-[ethyl(methyl)amino]-1-[methyl(2-methylpropyl)amino]-4-oxobutan-2-yl]-N-methylformamide.

Molecular Properties

Compound NameN-[(3R)-3-[ethyl(methyl)amino]-1-[methyl(2-methylpropyl)amino]-4-oxobutan-2-yl]-N-methylformamide
PubChem CID144914010
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC NameN-[(3R)-3-[ethyl(methyl)amino]-1-[methyl(2-methylpropyl)amino]-4-oxobutan-2-yl]-N-methylformamide
SMILESCCN(C)[C@@H](C=O)C(CN(C)CC(C)C)N(C)C=O
InChIInChI=1S/C14H29N3O2/c1-7-16(5)14(10-18)13(17(6)11-19)9-15(4)8-12(2)3/h10-14H,7-9H2,1-6H3/t13?,14-/m0/s1
InChIKeyJREZQAGHSWYMKA-KZUDCZAMSA-N
XLogP0.55
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-ethyl-N,2-dimethylpropan-1-amine
CID 143400672
N-(1-ethoxyethyl)-N-methylformamide
CID 87133135
3-[methyl(2-methylpropyl)amino]propanal
CID 63039776
N-(2-fluoropropyl)-N,2-dimethylpropan-1-amine
CID 177032219
N-(2,2-difluoroethyl)-N,2-dimethylpropan-1-amine
CID 126663851
N-[(2S)-3-methyl-1-oxobutan-2-yl]-N-(2-methylpropoxy)formamide
CID 174339131
N-methyl-N-(3-methyl-1-oxopentan-2-yl)acetamide
CID 19757608
2-[[methyl(2-methylpropyl)amino]methyl]butan-1-ol
CID 115250601
N-ethyl-N,7-dimethyloctan-2-amine
CID 123377571
(2S)-2-N-ethyl-1-N,1-N,2-N-trimethylpropane-1,2-diamine
CID 143518615
3-[methyl(2-methylpropyl)amino]-2-sulfopropanoic acid
CID 88830332
2-[methyl(2-methylpropyl)amino]-3-(propan-2-ylamino)propanal
CID 166698561

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-[ethyl(methyl)amino]-1-[methyl(2-methylpropyl)amino]-4-oxobutan-2-yl]-N-methylformamide?
The IUPAC name of N-[(3R)-3-[ethyl(methyl)amino]-1-[methyl(2-methylpropyl)amino]-4-oxobutan-2-yl]-N-methylformamide (CID 144914010) is N-[(3R)-3-[ethyl(methyl)amino]-1-[methyl(2-methylpropyl)amino]-4-oxobutan-2-yl]-N-methylformamide.
What is the SMILES notation for N-[(3R)-3-[ethyl(methyl)amino]-1-[methyl(2-methylpropyl)amino]-4-oxobutan-2-yl]-N-methylformamide?
The canonical SMILES for N-[(3R)-3-[ethyl(methyl)amino]-1-[methyl(2-methylpropyl)amino]-4-oxobutan-2-yl]-N-methylformamide is CCN(C)[C@@H](C=O)C(CN(C)CC(C)C)N(C)C=O.
What is the InChIKey of N-[(3R)-3-[ethyl(methyl)amino]-1-[methyl(2-methylpropyl)amino]-4-oxobutan-2-yl]-N-methylformamide?
The InChIKey is JREZQAGHSWYMKA-KZUDCZAMSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-7-16(5)14(10-18)13(17(6)11-19)9-15(4)8-12(2)3/h10-14H,7-9H2,1-6H3/t13?,14-/m0/s1.
What are the key properties of N-[(3R)-3-[ethyl(methyl)amino]-1-[methyl(2-methylpropyl)amino]-4-oxobutan-2-yl]-N-methylformamide?
N-[(3R)-3-[ethyl(methyl)amino]-1-[methyl(2-methylpropyl)amino]-4-oxobutan-2-yl]-N-methylformamide has a molecular weight of 271.40 g/mol, XLogP of 0.55, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-[ethyl(methyl)amino]-1-[methyl(2-methylpropyl)amino]-4-oxobutan-2-yl]-N-methylformamide is sourced from PubChem (CID 144914010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).