N-butyl-1-[4-(3-methylbutanoylamino)phenyl]cyclopropane-1-carboxamide

C19H28N2O2 — CID 50821689

IUPACN-butyl-1-[4-(3-methylbutanoylamino)phenyl]cyclopropane-1-carboxamide
SMILESCCCCNC(=O)C1(c2ccc(NC(=O)CC(C)C)cc2)CC1
InChIInChI=1S/C19H28N2O2/c1-4-5-12-20-18(23)19(10-11-19)15-6-8-16(9-7-15)21-17(22)13-14(2)3/h6-9,14H,4-5,10-13H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyYGPMGUVWGCZETP-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.62
Rot. Bonds8

About N-butyl-1-[4-(3-methylbutanoylamino)phenyl]cyclopropane-1-carboxamide

N-butyl-1-[4-(3-methylbutanoylamino)phenyl]cyclopropane-1-carboxamide (PubChem CID 50821689) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-butyl-1-[4-(3-methylbutanoylamino)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[4-(3-methylbutanoylamino)phenyl]cyclopropane-1-carboxamide
PubChem CID50821689
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC NameN-butyl-1-[4-(3-methylbutanoylamino)phenyl]cyclopropane-1-carboxamide
SMILESCCCCNC(=O)C1(c2ccc(NC(=O)CC(C)C)cc2)CC1
InChIInChI=1S/C19H28N2O2/c1-4-5-12-20-18(23)19(10-11-19)15-6-8-16(9-7-15)21-17(22)13-14(2)3/h6-9,14H,4-5,10-13H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyYGPMGUVWGCZETP-UHFFFAOYSA-N
XLogP3.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-[4-(pentanoylamino)phenyl]cyclopropane-1-carboxamide
CID 50821480
3-methyl-N-[4-(pentylamino)phenyl]butanamide
CID 112985181
N-butyl-1-[4-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822340
N-butyl-1-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 46378339
1-(4-aminophenyl)-N-hexylcyclopropane-1-carboxamide
CID 112558265
N-butyl-1-[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822226
N-[4-[1-(butylcarbamoyl)cyclopropyl]phenyl]-4-chlorobenzamide;2,2,2-trifluoroacetic acid
CID 146062423
N-[4-[1-(propylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821604
1-[4-[[4-(propanoylamino)phenyl]sulfonylamino]phenyl]-N-propylcyclopropane-1-carboxamide
CID 50822228
1-[4-(pentanoylamino)phenyl]cyclopropane-1-carboxylic acid
CID 112557929
N-butyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822324
N-[6-(butylamino)-3-pyridinyl]-3-methylbutanamide
CID 113009445

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[4-(3-methylbutanoylamino)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-butyl-1-[4-(3-methylbutanoylamino)phenyl]cyclopropane-1-carboxamide (CID 50821689) is N-butyl-1-[4-(3-methylbutanoylamino)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-butyl-1-[4-(3-methylbutanoylamino)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-butyl-1-[4-(3-methylbutanoylamino)phenyl]cyclopropane-1-carboxamide is CCCCNC(=O)C1(c2ccc(NC(=O)CC(C)C)cc2)CC1.
What is the InChIKey of N-butyl-1-[4-(3-methylbutanoylamino)phenyl]cyclopropane-1-carboxamide?
The InChIKey is YGPMGUVWGCZETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-4-5-12-20-18(23)19(10-11-19)15-6-8-16(9-7-15)21-17(22)13-14(2)3/h6-9,14H,4-5,10-13H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of N-butyl-1-[4-(3-methylbutanoylamino)phenyl]cyclopropane-1-carboxamide?
N-butyl-1-[4-(3-methylbutanoylamino)phenyl]cyclopropane-1-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[4-(3-methylbutanoylamino)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 50821689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).