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

C13H25N3O2 — CID 54901207

IUPACN-[3-(butan-2-ylamino)-3-oxopropyl]-3-(cyclopropylamino)propanamide
SMILESCCC(C)NC(=O)CCNC(=O)CCNC1CC1
InChIInChI=1S/C13H25N3O2/c1-3-10(2)16-13(18)7-9-15-12(17)6-8-14-11-4-5-11/h10-11,14H,3-9H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyUANVGCZIICQZPD-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.55
Rot. Bonds9

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

N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(cyclopropylamino)propanamide (PubChem CID 54901207) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(cyclopropylamino)propanamide.

Molecular Properties

Compound NameN-[3-(butan-2-ylamino)-3-oxopropyl]-3-(cyclopropylamino)propanamide
PubChem CID54901207
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-[3-(butan-2-ylamino)-3-oxopropyl]-3-(cyclopropylamino)propanamide
SMILESCCC(C)NC(=O)CCNC(=O)CCNC1CC1
InChIInChI=1S/C13H25N3O2/c1-3-10(2)16-13(18)7-9-15-12(17)6-8-14-11-4-5-11/h10-11,14H,3-9H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyUANVGCZIICQZPD-UHFFFAOYSA-N
XLogP0.55
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-3-(cyclohexylamino)propanamide
CID 60956493
3-(cyclopropylamino)-N-[3-oxo-3-(propan-2-ylamino)propyl]propanamide
CID 113410047
4-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 54900854
N-[3-(butan-2-ylamino)-3-oxopropyl]-4-hydroxypentanamide
CID 79192929
3-[[2-(4-aminocyclohexyl)acetyl]amino]-N-butan-2-ylpropanamide
CID 62781746
3-(cyclopropylamino)-N-(4-methylpentyl)propanamide
CID 61043178
4-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide;hydrochloride
CID 120560806
N-butan-2-yl-3-(2,3-dihydro-1H-inden-2-ylamino)propanamide
CID 54901056
3-(cyclopropylamino)-N-(2-propan-2-yloxyethyl)propanamide
CID 104761100
3-acetamido-N-butan-2-ylpropanamide;ethane
CID 153386915
3-[(4-propan-2-ylcycloheptyl)amino]-N-propylpropanamide
CID 65091127
N-[2-(cyclopropylamino)ethyl]-3-methylpentanamide
CID 114875591

Frequently Asked Questions

What is the IUPAC name of N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(cyclopropylamino)propanamide?
The IUPAC name of N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(cyclopropylamino)propanamide (CID 54901207) is N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(cyclopropylamino)propanamide.
What is the SMILES notation for N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(cyclopropylamino)propanamide?
The canonical SMILES for N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(cyclopropylamino)propanamide is CCC(C)NC(=O)CCNC(=O)CCNC1CC1.
What is the InChIKey of N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(cyclopropylamino)propanamide?
The InChIKey is UANVGCZIICQZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-3-10(2)16-13(18)7-9-15-12(17)6-8-14-11-4-5-11/h10-11,14H,3-9H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(cyclopropylamino)propanamide?
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(cyclopropylamino)propanamide has a molecular weight of 255.36 g/mol, XLogP of 0.55, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(cyclopropylamino)propanamide is sourced from PubChem (CID 54901207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).