3-(N-butylanilino)propanamide

C13H20N2O — CID 63172183

IUPAC3-(N-butylanilino)propanamide
SMILESCCCCN(CCC(N)=O)c1ccccc1
InChIInChI=1S/C13H20N2O/c1-2-3-10-15(11-9-13(14)16)12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3,(H2,14,16)
InChIKeyMNQUVFRDUCFVCT-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.17
Rot. Bonds7

About 3-(N-butylanilino)propanamide

3-(N-butylanilino)propanamide (PubChem CID 63172183) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-(N-butylanilino)propanamide.

Molecular Properties

Compound Name3-(N-butylanilino)propanamide
PubChem CID63172183
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-(N-butylanilino)propanamide
SMILESCCCCN(CCC(N)=O)c1ccccc1
InChIInChI=1S/C13H20N2O/c1-2-3-10-15(11-9-13(14)16)12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3,(H2,14,16)
InChIKeyMNQUVFRDUCFVCT-UHFFFAOYSA-N
XLogP2.17
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-hexylanilino)propanethioamide
CID 29006609
2-(carboxymethoxy)acetic acid;N,N-dibutylaniline
CID 160531229
N,N-dibutylaniline;perchloric acid
CID 71443116
2-amino-3-(N-butylanilino)-2-methylpropanamide
CID 64585233
N,N-di(nonyl)aniline
CID 22637953
N-heptyl-N-pentylaniline
CID 154378615
3-[N-(3-aminopropyl)anilino]propanoic acid
CID 63654243
2-(N-decylanilino)ethyl acetate
CID 70658915
3-[N-(2-butoxyethyl)anilino]propanoic acid
CID 61483721
4-(N-butylanilino)butyl phenyl carbonate
CID 21419980
N,N-dibutylaniline;propane;prop-1-ene
CID 142114632
3-[N-[3-(dimethylamino)propyl]anilino]propanoic acid
CID 82319994

Frequently Asked Questions

What is the IUPAC name of 3-(N-butylanilino)propanamide?
The IUPAC name of 3-(N-butylanilino)propanamide (CID 63172183) is 3-(N-butylanilino)propanamide.
What is the SMILES notation for 3-(N-butylanilino)propanamide?
The canonical SMILES for 3-(N-butylanilino)propanamide is CCCCN(CCC(N)=O)c1ccccc1.
What is the InChIKey of 3-(N-butylanilino)propanamide?
The InChIKey is MNQUVFRDUCFVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-3-10-15(11-9-13(14)16)12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3,(H2,14,16).
What are the key properties of 3-(N-butylanilino)propanamide?
3-(N-butylanilino)propanamide has a molecular weight of 220.32 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-butylanilino)propanamide is sourced from PubChem (CID 63172183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).