N-butan-2-yl-4-(5-methylhexan-2-ylcarbamoylamino)benzamide

C19H31N3O2 — CID 60569862

IUPACN-butan-2-yl-4-(5-methylhexan-2-ylcarbamoylamino)benzamide
SMILESCCC(C)NC(=O)c1ccc(NC(=O)NC(C)CCC(C)C)cc1
InChIInChI=1S/C19H31N3O2/c1-6-14(4)20-18(23)16-9-11-17(12-10-16)22-19(24)21-15(5)8-7-13(2)3/h9-15H,6-8H2,1-5H3,(H,20,23)(H2,21,22,24)
InChIKeyQWIDFDKQIWMSGN-UHFFFAOYSA-N
MW333.48 g/mol
LogP4.16
Rot. Bonds8

About N-butan-2-yl-4-(5-methylhexan-2-ylcarbamoylamino)benzamide

N-butan-2-yl-4-(5-methylhexan-2-ylcarbamoylamino)benzamide (PubChem CID 60569862) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N-butan-2-yl-4-(5-methylhexan-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-butan-2-yl-4-(5-methylhexan-2-ylcarbamoylamino)benzamide
PubChem CID60569862
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC NameN-butan-2-yl-4-(5-methylhexan-2-ylcarbamoylamino)benzamide
SMILESCCC(C)NC(=O)c1ccc(NC(=O)NC(C)CCC(C)C)cc1
InChIInChI=1S/C19H31N3O2/c1-6-14(4)20-18(23)16-9-11-17(12-10-16)22-19(24)21-15(5)8-7-13(2)3/h9-15H,6-8H2,1-5H3,(H,20,23)(H2,21,22,24)
InChIKeyQWIDFDKQIWMSGN-UHFFFAOYSA-N
XLogP4.16
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-butan-2-yl]-4-(phenylcarbamoylamino)benzamide
CID 42427532
4-acetamido-N-butan-2-ylbenzamide
CID 4540233
1-N,4-N-bis[4-(butan-2-ylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17201637
N-butan-2-yl-4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17201290
N,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]pentanediamide
CID 17201639
N-[(2R)-butan-2-yl]-4-(2,2-dimethylpropanoylamino)benzamide
CID 42427493
N,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]decanediamide
CID 17201350
N-butan-2-yl-4-(3-methylbutoxy)benzamide
CID 17137403
methyl 4-[[4-(butan-2-ylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17201378
1-butan-2-yl-3-[4-(2-methoxyethoxy)phenyl]urea
CID 47202620
N-[(2S)-butan-2-yl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 42427383
4-acetamido-N-pentan-2-ylbenzamide
CID 2885822

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(5-methylhexan-2-ylcarbamoylamino)benzamide?
The IUPAC name of N-butan-2-yl-4-(5-methylhexan-2-ylcarbamoylamino)benzamide (CID 60569862) is N-butan-2-yl-4-(5-methylhexan-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-butan-2-yl-4-(5-methylhexan-2-ylcarbamoylamino)benzamide?
The canonical SMILES for N-butan-2-yl-4-(5-methylhexan-2-ylcarbamoylamino)benzamide is CCC(C)NC(=O)c1ccc(NC(=O)NC(C)CCC(C)C)cc1.
What is the InChIKey of N-butan-2-yl-4-(5-methylhexan-2-ylcarbamoylamino)benzamide?
The InChIKey is QWIDFDKQIWMSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-6-14(4)20-18(23)16-9-11-17(12-10-16)22-19(24)21-15(5)8-7-13(2)3/h9-15H,6-8H2,1-5H3,(H,20,23)(H2,21,22,24).
What are the key properties of N-butan-2-yl-4-(5-methylhexan-2-ylcarbamoylamino)benzamide?
N-butan-2-yl-4-(5-methylhexan-2-ylcarbamoylamino)benzamide has a molecular weight of 333.48 g/mol, XLogP of 4.16, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-(5-methylhexan-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 60569862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).