2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N-propylpropanamide

C13H27N3O2 — CID 54901154

IUPAC2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCCC(=O)NC(C)CC
InChIInChI=1S/C13H27N3O2/c1-5-8-15-13(18)11(4)14-9-7-12(17)16-10(3)6-2/h10-11,14H,5-9H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyIRSKRMOFZKZKBU-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.80
Rot. Bonds9

About 2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N-propylpropanamide

2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N-propylpropanamide (PubChem CID 54901154) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N-propylpropanamide
PubChem CID54901154
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCCC(=O)NC(C)CC
InChIInChI=1S/C13H27N3O2/c1-5-8-15-13(18)11(4)14-9-7-12(17)16-10(3)6-2/h10-11,14H,5-9H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyIRSKRMOFZKZKBU-UHFFFAOYSA-N
XLogP0.80
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N-(3-methylbutyl)propanamide
CID 61022907
2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N,N-dimethylpropanamide
CID 54900963
N-butan-2-yl-3-[(N'-methyl-N-propylcarbamimidoyl)amino]propanamide
CID 111228643
2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanoic acid
CID 64667377
N-butan-2-yl-3-[1-(1-methylcyclopropyl)ethylamino]propanamide
CID 61022080
N-[(2R)-butan-2-yl]-3-[[(2R)-3,3-dimethylbutan-2-yl]amino]propanamide
CID 97230749
N-[(2S)-butan-2-yl]-3-[[(2S)-3,3-dimethylbutan-2-yl]amino]propanamide
CID 97230748
2-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]propanamide;hydrochloride
CID 119297115
3-acetamido-N-butan-2-ylpropanamide;ethane
CID 153386915
2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanamide
CID 62899086
2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]-N-(2-methoxyethyl)propanamide
CID 113407011
methyl N-[3-(butan-2-ylamino)-3-oxopropyl]carbamate
CID 115590026

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N-propylpropanamide?
The IUPAC name of 2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N-propylpropanamide (CID 54901154) is 2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N-propylpropanamide.
What is the SMILES notation for 2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N-propylpropanamide?
The canonical SMILES for 2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N-propylpropanamide is CCCNC(=O)C(C)NCCC(=O)NC(C)CC.
What is the InChIKey of 2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N-propylpropanamide?
The InChIKey is IRSKRMOFZKZKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-5-8-15-13(18)11(4)14-9-7-12(17)16-10(3)6-2/h10-11,14H,5-9H2,1-4H3,(H,15,18)(H,16,17).
What are the key properties of 2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N-propylpropanamide?
2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N-propylpropanamide has a molecular weight of 257.38 g/mol, XLogP of 0.80, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N-propylpropanamide is sourced from PubChem (CID 54901154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).