1-amino-N-[4-(4-nitrophenyl)butyl]cyclopropane-1-carboxamide

C14H19N3O3 — CID 119778284

IUPAC1-amino-N-[4-(4-nitrophenyl)butyl]cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C14H19N3O3/c15-14(8-9-14)13(18)16-10-2-1-3-11-4-6-12(7-5-11)17(19)20/h4-7H,1-3,8-10,15H2,(H,16,18)
InChIKeyBMMUTGWJGINZAK-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.52
Rot. Bonds7

About 1-amino-N-[4-(4-nitrophenyl)butyl]cyclopropane-1-carboxamide

1-amino-N-[4-(4-nitrophenyl)butyl]cyclopropane-1-carboxamide (PubChem CID 119778284) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-amino-N-[4-(4-nitrophenyl)butyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[4-(4-nitrophenyl)butyl]cyclopropane-1-carboxamide
PubChem CID119778284
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-amino-N-[4-(4-nitrophenyl)butyl]cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C14H19N3O3/c15-14(8-9-14)13(18)16-10-2-1-3-11-4-6-12(7-5-11)17(19)20/h4-7H,1-3,8-10,15H2,(H,16,18)
InChIKeyBMMUTGWJGINZAK-UHFFFAOYSA-N
XLogP1.52
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-N-[2-(4-nitrophenyl)ethyl]cyclopropane-1-carboxamide
CID 65464485
1-[(1-hydroxycyclobutyl)methyl]-3-[4-(4-nitrophenyl)butyl]urea
CID 111444253
3-amino-N-[4-(4-nitrophenyl)butyl]propanamide
CID 119320506
3-amino-N-[4-(4-nitrophenyl)butyl]propanamide;hydrochloride
CID 119320505
3-amino-2-methyl-N-[4-(4-nitrophenyl)butyl]butanamide
CID 120500594
2-(4-aminophenyl)-N-[4-(4-nitrophenyl)butyl]acetamide;hydrochloride
CID 119778289
N-[3-(4-nitrophenyl)propyl]acetamide
CID 58774168
4-(aminomethyl)-N-[4-(4-nitrophenyl)butyl]benzamide;hydrochloride
CID 119320517
4-[4-(4-nitrophenyl)butylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673532
3-amino-N-[4-(4-nitrophenyl)butyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119778298
2,2-dimethyl-4-[4-(4-nitrophenyl)butylamino]-4-oxobutanoic acid
CID 119137649
2-(4-nitrophenyl)-N-(3-phenylpropyl)acetamide
CID 3684715

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-(4-nitrophenyl)butyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[4-(4-nitrophenyl)butyl]cyclopropane-1-carboxamide (CID 119778284) is 1-amino-N-[4-(4-nitrophenyl)butyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[4-(4-nitrophenyl)butyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[4-(4-nitrophenyl)butyl]cyclopropane-1-carboxamide is NC1(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of 1-amino-N-[4-(4-nitrophenyl)butyl]cyclopropane-1-carboxamide?
The InChIKey is BMMUTGWJGINZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c15-14(8-9-14)13(18)16-10-2-1-3-11-4-6-12(7-5-11)17(19)20/h4-7H,1-3,8-10,15H2,(H,16,18).
What are the key properties of 1-amino-N-[4-(4-nitrophenyl)butyl]cyclopropane-1-carboxamide?
1-amino-N-[4-(4-nitrophenyl)butyl]cyclopropane-1-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[4-(4-nitrophenyl)butyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 119778284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).