N-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]cyclohexanecarboxamide

C19H29N3O2 — CID 119814665

IUPACN-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]cyclohexanecarboxamide
SMILESCCCC(C)(N)C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C19H29N3O2/c1-3-12-19(2,20)18(24)22-16-11-7-10-15(13-16)21-17(23)14-8-5-4-6-9-14/h7,10-11,13-14H,3-6,8-9,12,20H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyIBQVMJWYAZOCDR-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.66
Rot. Bonds6

About N-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]cyclohexanecarboxamide

N-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]cyclohexanecarboxamide (PubChem CID 119814665) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]cyclohexanecarboxamide
PubChem CID119814665
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]cyclohexanecarboxamide
SMILESCCCC(C)(N)C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C19H29N3O2/c1-3-12-19(2,20)18(24)22-16-11-7-10-15(13-16)21-17(23)14-8-5-4-6-9-14/h7,10-11,13-14H,3-6,8-9,12,20H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyIBQVMJWYAZOCDR-UHFFFAOYSA-N
XLogP3.66
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(butanoylamino)phenyl]cyclopentanecarboxamide
CID 47309445
2-amino-N-(3-bromophenyl)-2-methylpentanamide
CID 60847337
N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]cyclopentanecarboxamide
CID 108933365
2-amino-N-(3-ethynylphenyl)-2-methylpentanamide
CID 60847163
N-[3-(2,2-dimethylpropanoylamino)phenyl]cyclopropanecarboxamide
CID 17204538
2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]-2-methylpentanamide
CID 106911983
N-[5-[(2-amino-2-methylpentanoyl)amino]-2-pyridinyl]cyclopropanecarboxamide
CID 119879412
4-[[3-(cyclohexanecarbonylamino)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122086280
N-(3-acetamidophenyl)cyclobutanecarboxamide
CID 2666370
N-[3-[[2-methyl-2-(methylamino)propanoyl]amino]phenyl]cyclopropanecarboxamide
CID 62848369
1-[[3-[(2-amino-2-methylpentanoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 119856274
N-[3-[(2-methoxyacetyl)amino]phenyl]cyclohexanecarboxamide
CID 47022982

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]cyclohexanecarboxamide (CID 119814665) is N-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]cyclohexanecarboxamide is CCCC(C)(N)C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1.
What is the InChIKey of N-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]cyclohexanecarboxamide?
The InChIKey is IBQVMJWYAZOCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-3-12-19(2,20)18(24)22-16-11-7-10-15(13-16)21-17(23)14-8-5-4-6-9-14/h7,10-11,13-14H,3-6,8-9,12,20H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]cyclohexanecarboxamide?
N-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]cyclohexanecarboxamide has a molecular weight of 331.46 g/mol, XLogP of 3.66, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 119814665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).