N-butan-2-yl-2-[4-(methylamino)butanoylamino]benzamide

C16H25N3O2 — CID 60843100

IUPACN-butan-2-yl-2-[4-(methylamino)butanoylamino]benzamide
SMILESCCC(C)NC(=O)c1ccccc1NC(=O)CCCNC
InChIInChI=1S/C16H25N3O2/c1-4-12(2)18-16(21)13-8-5-6-9-14(13)19-15(20)10-7-11-17-3/h5-6,8-9,12,17H,4,7,10-11H2,1-3H3,(H,18,21)(H,19,20)
InChIKeySISILEDOYBWLBD-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.15
Rot. Bonds8

About N-butan-2-yl-2-[4-(methylamino)butanoylamino]benzamide

N-butan-2-yl-2-[4-(methylamino)butanoylamino]benzamide (PubChem CID 60843100) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-butan-2-yl-2-[4-(methylamino)butanoylamino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[4-(methylamino)butanoylamino]benzamide
PubChem CID60843100
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-butan-2-yl-2-[4-(methylamino)butanoylamino]benzamide
SMILESCCC(C)NC(=O)c1ccccc1NC(=O)CCCNC
InChIInChI=1S/C16H25N3O2/c1-4-12(2)18-16(21)13-8-5-6-9-14(13)19-15(20)10-7-11-17-3/h5-6,8-9,12,17H,4,7,10-11H2,1-3H3,(H,18,21)(H,19,20)
InChIKeySISILEDOYBWLBD-UHFFFAOYSA-N
XLogP2.15
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.15
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

N-butan-2-yl-2-[3-(2-fluorophenyl)propanoylamino]benzamide
CID 133251866
N-butan-2-yl-2-[3-(3,4-dimethylphenyl)propanoylamino]benzamide
CID 133235466
N-[(2R)-butan-2-yl]-2-[3-(4-chlorophenyl)sulfanylpropanoylamino]benzamide
CID 126117235
2-[4-(methylamino)butanoylamino]benzamide;hydrochloride
CID 119673012
N-butan-2-yl-2-[4-(4-methoxy-N-methylsulfonylanilino)butanoylamino]benzamide
CID 133262283
N-[(2R)-butan-2-yl]-2-[[2-(2-chlorophenyl)acetyl]amino]benzamide
CID 26706384
N-[(2S)-butan-2-yl]-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide
CID 100515328
N-[(2S)-butan-2-yl]-2-[(2-iodobenzoyl)amino]benzamide
CID 26244706
N-butan-2-yl-2-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 2942479
N-[(2S)-butan-2-yl]-2-[3-(4-methylphenyl)sulfonylpropanoylamino]benzamide
CID 39996049
(E)-4-[2-(butan-2-ylcarbamoyl)anilino]-4-oxobut-2-enoic acid
CID 17151177
4-(methylamino)-N-(2-propan-2-ylphenyl)butanamide
CID 54924530

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[4-(methylamino)butanoylamino]benzamide?
The IUPAC name of N-butan-2-yl-2-[4-(methylamino)butanoylamino]benzamide (CID 60843100) is N-butan-2-yl-2-[4-(methylamino)butanoylamino]benzamide.
What is the SMILES notation for N-butan-2-yl-2-[4-(methylamino)butanoylamino]benzamide?
The canonical SMILES for N-butan-2-yl-2-[4-(methylamino)butanoylamino]benzamide is CCC(C)NC(=O)c1ccccc1NC(=O)CCCNC.
What is the InChIKey of N-butan-2-yl-2-[4-(methylamino)butanoylamino]benzamide?
The InChIKey is SISILEDOYBWLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-12(2)18-16(21)13-8-5-6-9-14(13)19-15(20)10-7-11-17-3/h5-6,8-9,12,17H,4,7,10-11H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of N-butan-2-yl-2-[4-(methylamino)butanoylamino]benzamide?
N-butan-2-yl-2-[4-(methylamino)butanoylamino]benzamide has a molecular weight of 291.39 g/mol, XLogP of 2.15, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[4-(methylamino)butanoylamino]benzamide is sourced from PubChem (CID 60843100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).