2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-pentan-2-ylpropanamide

C14H29N3O2 — CID 103108377

IUPAC2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)NC(C)C(=O)N(C)CC
InChIInChI=1S/C14H29N3O2/c1-7-9-10(3)15-13(18)11(4)16-12(5)14(19)17(6)8-2/h10-12,16H,7-9H2,1-6H3,(H,15,18)
InChIKeyLSAXZUBUILTCOW-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.14
Rot. Bonds8

About 2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-pentan-2-ylpropanamide

2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-pentan-2-ylpropanamide (PubChem CID 103108377) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-pentan-2-ylpropanamide
PubChem CID103108377
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)NC(C)C(=O)N(C)CC
InChIInChI=1S/C14H29N3O2/c1-7-9-10(3)15-13(18)11(4)16-12(5)14(19)17(6)8-2/h10-12,16H,7-9H2,1-6H3,(H,15,18)
InChIKeyLSAXZUBUILTCOW-UHFFFAOYSA-N
XLogP1.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]propanoic acid
CID 43467311
N-ethyl-N-methyl-2-(propan-2-ylamino)propanamide
CID 103107904
2-(hexan-2-ylamino)-N-pentan-2-ylpropanamide
CID 62201162
N,N-diethyl-2-(pentan-2-ylamino)propanamide
CID 43113164
N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-hydroxypentanamide
CID 103113627
2-(1-hydroxybutan-2-ylamino)-N-pentan-2-ylpropanamide
CID 43416457
2-(1,1-difluoropropan-2-ylamino)-N-ethyl-N-methylpropanamide
CID 103107862
2-(3-methylpentan-3-ylamino)-N-pentan-2-ylpropanamide
CID 106328554
2-(butylamino)-N-ethyl-N-methylpropanamide
CID 103107906
2-(1-cyclopropylethylamino)-N-pentan-2-ylpropanamide
CID 43420322
methyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]butanoate
CID 103108828
4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103499411

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-pentan-2-ylpropanamide?
The IUPAC name of 2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-pentan-2-ylpropanamide (CID 103108377) is 2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)NC(C)C(=O)N(C)CC.
What is the InChIKey of 2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-pentan-2-ylpropanamide?
The InChIKey is LSAXZUBUILTCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-7-9-10(3)15-13(18)11(4)16-12(5)14(19)17(6)8-2/h10-12,16H,7-9H2,1-6H3,(H,15,18).
What are the key properties of 2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-pentan-2-ylpropanamide?
2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-pentan-2-ylpropanamide has a molecular weight of 271.40 g/mol, XLogP of 1.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-pentan-2-ylpropanamide is sourced from PubChem (CID 103108377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).