1-(4-nitrophenyl)-N-[(2R)-4-phenylbutan-2-yl]cyclopropane-1-carboxamide

C20H22N2O3 — CID 100789169

IUPAC1-(4-nitrophenyl)-N-[(2R)-4-phenylbutan-2-yl]cyclopropane-1-carboxamide
SMILESC[C@H](CCc1ccccc1)NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C20H22N2O3/c1-15(7-8-16-5-3-2-4-6-16)21-19(23)20(13-14-20)17-9-11-18(12-10-17)22(24)25/h2-6,9-12,15H,7-8,13-14H2,1H3,(H,21,23)/t15-/m1/s1
InChIKeyPSCJQUWCOYKXGR-OAHLLOKOSA-N
MW338.41 g/mol
LogP3.76
Rot. Bonds7

About 1-(4-nitrophenyl)-N-[(2R)-4-phenylbutan-2-yl]cyclopropane-1-carboxamide

1-(4-nitrophenyl)-N-[(2R)-4-phenylbutan-2-yl]cyclopropane-1-carboxamide (PubChem CID 100789169) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-(4-nitrophenyl)-N-[(2R)-4-phenylbutan-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-nitrophenyl)-N-[(2R)-4-phenylbutan-2-yl]cyclopropane-1-carboxamide
PubChem CID100789169
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name1-(4-nitrophenyl)-N-[(2R)-4-phenylbutan-2-yl]cyclopropane-1-carboxamide
SMILESC[C@H](CCc1ccccc1)NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C20H22N2O3/c1-15(7-8-16-5-3-2-4-6-16)21-19(23)20(13-14-20)17-9-11-18(12-10-17)22(24)25/h2-6,9-12,15H,7-8,13-14H2,1H3,(H,21,23)/t15-/m1/s1
InChIKeyPSCJQUWCOYKXGR-OAHLLOKOSA-N
XLogP3.76
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-N-[(2S)-4-phenylbutan-2-yl]cyclopentane-1-carboxamide
CID 1220424
4-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)oxane-4-carboxamide
CID 4250680
2-(4-nitrophenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 2632338
(E)-3-(4-nitrophenyl)-N-[(2S)-4-phenylbutan-2-yl]prop-2-enamide
CID 51417547
4-[(4-nitrobenzoyl)amino]-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 7372197
N-[(2S)-4-(furan-2-yl)butan-2-yl]-1-phenylcyclopropane-1-carboxamide
CID 95639214
4-(3,4-dimethoxyphenyl)-N-(4-phenylbutan-2-yl)oxane-4-carboxamide
CID 42648874
1-amino-N-(4-phenylbutan-2-yl)cyclopentane-1-carboxamide
CID 61251912
N-pent-4-yn-2-yl-1-phenylcyclopropane-1-carboxamide
CID 115661895
2-amino-1-methyl-N-(4-phenylbutan-2-yl)cyclopentane-1-carboxamide
CID 82767340
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
1-(4-nitrophenyl)-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 100789042

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenyl)-N-[(2R)-4-phenylbutan-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-nitrophenyl)-N-[(2R)-4-phenylbutan-2-yl]cyclopropane-1-carboxamide (CID 100789169) is 1-(4-nitrophenyl)-N-[(2R)-4-phenylbutan-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-nitrophenyl)-N-[(2R)-4-phenylbutan-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-nitrophenyl)-N-[(2R)-4-phenylbutan-2-yl]cyclopropane-1-carboxamide is C[C@H](CCc1ccccc1)NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of 1-(4-nitrophenyl)-N-[(2R)-4-phenylbutan-2-yl]cyclopropane-1-carboxamide?
The InChIKey is PSCJQUWCOYKXGR-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-15(7-8-16-5-3-2-4-6-16)21-19(23)20(13-14-20)17-9-11-18(12-10-17)22(24)25/h2-6,9-12,15H,7-8,13-14H2,1H3,(H,21,23)/t15-/m1/s1.
What are the key properties of 1-(4-nitrophenyl)-N-[(2R)-4-phenylbutan-2-yl]cyclopropane-1-carboxamide?
1-(4-nitrophenyl)-N-[(2R)-4-phenylbutan-2-yl]cyclopropane-1-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenyl)-N-[(2R)-4-phenylbutan-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 100789169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).