N-[3-(butanoylamino)-2-methylphenyl]-4-(methylamino)butanamide

C16H25N3O2 — CID 119747442

IUPACN-[3-(butanoylamino)-2-methylphenyl]-4-(methylamino)butanamide
SMILESCCCC(=O)Nc1cccc(NC(=O)CCCNC)c1C
InChIInChI=1S/C16H25N3O2/c1-4-7-15(20)18-13-8-5-9-14(12(13)2)19-16(21)10-6-11-17-3/h5,8-9,17H,4,6-7,10-11H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyGYUHAMQODBXPLY-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.67
Rot. Bonds8

About N-[3-(butanoylamino)-2-methylphenyl]-4-(methylamino)butanamide

N-[3-(butanoylamino)-2-methylphenyl]-4-(methylamino)butanamide (PubChem CID 119747442) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-[3-(butanoylamino)-2-methylphenyl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[3-(butanoylamino)-2-methylphenyl]-4-(methylamino)butanamide
PubChem CID119747442
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN-[3-(butanoylamino)-2-methylphenyl]-4-(methylamino)butanamide
SMILESCCCC(=O)Nc1cccc(NC(=O)CCCNC)c1C
InChIInChI=1S/C16H25N3O2/c1-4-7-15(20)18-13-8-5-9-14(12(13)2)19-16(21)10-6-11-17-3/h5,8-9,17H,4,6-7,10-11H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyGYUHAMQODBXPLY-UHFFFAOYSA-N
XLogP2.67
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-methyl-3-[4-(methylamino)butanoylamino]benzoate
CID 54924912
4-(methylamino)-N-(2-methylphenyl)butanamide;hydrochloride
CID 119670453
N-(3-methoxy-2,4-dimethylphenyl)-4-(methylamino)butanamide
CID 60842237
N-(3-hydroxy-2-methylphenyl)pentanamide
CID 64792889
N-(2-methyl-3-sulfanylphenyl)pentanamide
CID 4713033
N-(3-hydroxy-2-methylphenyl)decanamide
CID 65426726
N-(2,3-dimethylphenyl)dodecanamide
CID 4198682
N-(1H-indol-4-yl)-4-(methylamino)butanamide;hydrochloride
CID 119706198
4-(methylamino)-N-(2-propan-2-ylphenyl)butanamide
CID 54924530
2-[4-(methylamino)butanoylamino]benzamide;hydrochloride
CID 119673012
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
N-(2,5-dimethylphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119669251

Frequently Asked Questions

What is the IUPAC name of N-[3-(butanoylamino)-2-methylphenyl]-4-(methylamino)butanamide?
The IUPAC name of N-[3-(butanoylamino)-2-methylphenyl]-4-(methylamino)butanamide (CID 119747442) is N-[3-(butanoylamino)-2-methylphenyl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[3-(butanoylamino)-2-methylphenyl]-4-(methylamino)butanamide?
The canonical SMILES for N-[3-(butanoylamino)-2-methylphenyl]-4-(methylamino)butanamide is CCCC(=O)Nc1cccc(NC(=O)CCCNC)c1C.
What is the InChIKey of N-[3-(butanoylamino)-2-methylphenyl]-4-(methylamino)butanamide?
The InChIKey is GYUHAMQODBXPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-7-15(20)18-13-8-5-9-14(12(13)2)19-16(21)10-6-11-17-3/h5,8-9,17H,4,6-7,10-11H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N-[3-(butanoylamino)-2-methylphenyl]-4-(methylamino)butanamide?
N-[3-(butanoylamino)-2-methylphenyl]-4-(methylamino)butanamide has a molecular weight of 291.40 g/mol, XLogP of 2.67, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butanoylamino)-2-methylphenyl]-4-(methylamino)butanamide is sourced from PubChem (CID 119747442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).