4-(N-ethyl-3-methylanilino)-2-(propylamino)butanamide

C16H27N3O — CID 63054940

IUPAC4-(N-ethyl-3-methylanilino)-2-(propylamino)butanamide
SMILESCCCNC(CCN(CC)c1cccc(C)c1)C(N)=O
InChIInChI=1S/C16H27N3O/c1-4-10-18-15(16(17)20)9-11-19(5-2)14-8-6-7-13(3)12-14/h6-8,12,15,18H,4-5,9-11H2,1-3H3,(H2,17,20)
InChIKeyZRDHDCAGNZLJIN-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.06
Rot. Bonds9

About 4-(N-ethyl-3-methylanilino)-2-(propylamino)butanamide

4-(N-ethyl-3-methylanilino)-2-(propylamino)butanamide (PubChem CID 63054940) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-(N-ethyl-3-methylanilino)-2-(propylamino)butanamide.

Molecular Properties

Compound Name4-(N-ethyl-3-methylanilino)-2-(propylamino)butanamide
PubChem CID63054940
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name4-(N-ethyl-3-methylanilino)-2-(propylamino)butanamide
SMILESCCCNC(CCN(CC)c1cccc(C)c1)C(N)=O
InChIInChI=1S/C16H27N3O/c1-4-10-18-15(16(17)20)9-11-19(5-2)14-8-6-7-13(3)12-14/h6-8,12,15,18H,4-5,9-11H2,1-3H3,(H2,17,20)
InChIKeyZRDHDCAGNZLJIN-UHFFFAOYSA-N
XLogP2.06
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-ethyl-1-N-(3-methylphenyl)-4-N-propylhexane-1,4-diamine
CID 106799445
4-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]pentanamide
CID 120564241
N'-ethyl-N'-(3-methylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 20811771
N-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119831783
4-(diethylamino)-2-(propylamino)butanamide
CID 63028178
CID 138691667
CID 138691667
N-butan-2-yl-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 61077133
1-(N-ethyl-3-methylanilino)-4,4-dimethylpentan-3-ol
CID 62623748
3-(3-methyl-N-propylanilino)propanoic acid
CID 82317776
3-(N-ethyl-3-methylanilino)propanethioamide
CID 39160770
3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]benzamide;dihydrochloride
CID 119831786
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568

Frequently Asked Questions

What is the IUPAC name of 4-(N-ethyl-3-methylanilino)-2-(propylamino)butanamide?
The IUPAC name of 4-(N-ethyl-3-methylanilino)-2-(propylamino)butanamide (CID 63054940) is 4-(N-ethyl-3-methylanilino)-2-(propylamino)butanamide.
What is the SMILES notation for 4-(N-ethyl-3-methylanilino)-2-(propylamino)butanamide?
The canonical SMILES for 4-(N-ethyl-3-methylanilino)-2-(propylamino)butanamide is CCCNC(CCN(CC)c1cccc(C)c1)C(N)=O.
What is the InChIKey of 4-(N-ethyl-3-methylanilino)-2-(propylamino)butanamide?
The InChIKey is ZRDHDCAGNZLJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-10-18-15(16(17)20)9-11-19(5-2)14-8-6-7-13(3)12-14/h6-8,12,15,18H,4-5,9-11H2,1-3H3,(H2,17,20).
What are the key properties of 4-(N-ethyl-3-methylanilino)-2-(propylamino)butanamide?
4-(N-ethyl-3-methylanilino)-2-(propylamino)butanamide has a molecular weight of 277.41 g/mol, XLogP of 2.06, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-ethyl-3-methylanilino)-2-(propylamino)butanamide is sourced from PubChem (CID 63054940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).