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

C15H31N3O2 — CID 61022907

IUPAC2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N-(3-methylbutyl)propanamide
SMILESCCC(C)NC(=O)CCNC(C)C(=O)NCCC(C)C
InChIInChI=1S/C15H31N3O2/c1-6-12(4)18-14(19)8-10-16-13(5)15(20)17-9-7-11(2)3/h11-13,16H,6-10H2,1-5H3,(H,17,20)(H,18,19)
InChIKeyOPNSOGHOKCLKJR-UHFFFAOYSA-N
MW285.43 g/mol
LogP1.43
Rot. Bonds10

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

2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N-(3-methylbutyl)propanamide (PubChem CID 61022907) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N-(3-methylbutyl)propanamide
PubChem CID61022907
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N-(3-methylbutyl)propanamide
SMILESCCC(C)NC(=O)CCNC(C)C(=O)NCCC(C)C
InChIInChI=1S/C15H31N3O2/c1-6-12(4)18-14(19)8-10-16-13(5)15(20)17-9-7-11(2)3/h11-13,16H,6-10H2,1-5H3,(H,17,20)(H,18,19)
InChIKeyOPNSOGHOKCLKJR-UHFFFAOYSA-N
XLogP1.43
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N-(3-methylbutyl)propanamide with MolForge

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Related Compounds

2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N-propylpropanamide
CID 54901154
N-butan-2-yl-3-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]propanamide
CID 110979277
2-(butylamino)-N-(3-methylbutyl)propanamide
CID 43112967
2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N,N-dimethylpropanamide
CID 54900963
2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanoic acid
CID 64667377
N-butan-2-yl-3-[1-(1-methylcyclopropyl)ethylamino]propanamide
CID 61022080
2-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 43466192
N-[3-(butan-2-ylamino)-3-oxopropyl]-4-hydroxypentanamide
CID 79192929
N-[(2R)-butan-2-yl]-3-[[(2R)-3,3-dimethylbutan-2-yl]amino]propanamide
CID 97230749
2-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]propanamide;hydrochloride
CID 119297115
N-[(2S)-butan-2-yl]-3-[[(2S)-3,3-dimethylbutan-2-yl]amino]propanamide
CID 97230748
3-acetamido-N-butan-2-ylpropanamide;ethane
CID 153386915

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N-(3-methylbutyl)propanamide (CID 61022907) is 2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N-(3-methylbutyl)propanamide is CCC(C)NC(=O)CCNC(C)C(=O)NCCC(C)C.
What is the InChIKey of 2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N-(3-methylbutyl)propanamide?
The InChIKey is OPNSOGHOKCLKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-6-12(4)18-14(19)8-10-16-13(5)15(20)17-9-7-11(2)3/h11-13,16H,6-10H2,1-5H3,(H,17,20)(H,18,19).
What are the key properties of 2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N-(3-methylbutyl)propanamide?
2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N-(3-methylbutyl)propanamide has a molecular weight of 285.43 g/mol, XLogP of 1.43, 10 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-(3-methylbutyl)propanamide is sourced from PubChem (CID 61022907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).