N-[2-(propanoylamino)propyl]propanamide

C9H18N2O2 — CID 3569677

IUPACN-[2-(propanoylamino)propyl]propanamide
SMILESCCC(=O)NCC(C)NC(=O)CC
InChIInChI=1S/C9H18N2O2/c1-4-8(12)10-6-7(3)11-9(13)5-2/h7H,4-6H2,1-3H3,(H,10,12)(H,11,13)
InChIKeyDXCIPSSBTSBIAB-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.43
Rot. Bonds5

About N-[2-(propanoylamino)propyl]propanamide

N-[2-(propanoylamino)propyl]propanamide (PubChem CID 3569677) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is N-[2-(propanoylamino)propyl]propanamide.

Molecular Properties

Compound NameN-[2-(propanoylamino)propyl]propanamide
PubChem CID3569677
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC NameN-[2-(propanoylamino)propyl]propanamide
SMILESCCC(=O)NCC(C)NC(=O)CC
InChIInChI=1S/C9H18N2O2/c1-4-8(12)10-6-7(3)11-9(13)5-2/h7H,4-6H2,1-3H3,(H,10,12)(H,11,13)
InChIKeyDXCIPSSBTSBIAB-UHFFFAOYSA-N
XLogP0.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[[2-(methylamino)acetyl]amino]propan-2-yl]propanamide
CID 155070806
ethyl N-[2-(propanoylamino)propyl]carbamodithioate
CID 59072300
N-(2-bromopropyl)propanamide
CID 87559070
(2S)-2-amino-N-[(2S)-1-(propanoylamino)propan-2-yl]propanamide;N-[(2S)-2-aminopropyl]propanamide;ethane;methanol
CID 159551322
N-(2-hydroxy-3-methylbutyl)propanamide
CID 115701495
ethane;N-(2-methylbutyl)propanamide
CID 177054062
methyl 3-[2-[(3-methoxy-3-oxopropanoyl)amino]propylamino]-3-oxopropanoate
CID 10378628
ethane;N-(3-hydroxy-2-methylpropyl)propanamide
CID 155720922
3-methyl-4-(propanoylamino)butanoic acid
CID 81063139
ethane;methane;N-[5-(propanoylamino)hexyl]propanamide
CID 159658097
N-[(2R)-2,3-dihydroxypropyl]propanamide
CID 88953699
2-cyclopentyl-N-[2-[(2-cyclopentylacetyl)amino]propyl]acetamide
CID 54786980

Frequently Asked Questions

What is the IUPAC name of N-[2-(propanoylamino)propyl]propanamide?
The IUPAC name of N-[2-(propanoylamino)propyl]propanamide (CID 3569677) is N-[2-(propanoylamino)propyl]propanamide.
What is the SMILES notation for N-[2-(propanoylamino)propyl]propanamide?
The canonical SMILES for N-[2-(propanoylamino)propyl]propanamide is CCC(=O)NCC(C)NC(=O)CC.
What is the InChIKey of N-[2-(propanoylamino)propyl]propanamide?
The InChIKey is DXCIPSSBTSBIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-4-8(12)10-6-7(3)11-9(13)5-2/h7H,4-6H2,1-3H3,(H,10,12)(H,11,13).
What are the key properties of N-[2-(propanoylamino)propyl]propanamide?
N-[2-(propanoylamino)propyl]propanamide has a molecular weight of 186.25 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(propanoylamino)propyl]propanamide is sourced from PubChem (CID 3569677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).