N-[3-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]benzamide

C18H20N2O — CID 90205042

IUPACN-[3-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]benzamide
SMILESCC[C@]1(N)C[C@H]1c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C18H20N2O/c1-2-18(19)12-16(18)14-9-6-10-15(11-14)20-17(21)13-7-4-3-5-8-13/h3-11,16H,2,12,19H2,1H3,(H,20,21)/t16-,18-/m0/s1
InChIKeyXEGWNPZUHVMEAP-WMZOPIPTSA-N
MW280.37 g/mol
LogP3.53
Rot. Bonds4

About N-[3-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]benzamide

N-[3-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]benzamide (PubChem CID 90205042) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[3-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]benzamide
PubChem CID90205042
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-[3-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]benzamide
SMILESCC[C@]1(N)C[C@H]1c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C18H20N2O/c1-2-18(19)12-16(18)14-9-6-10-15(11-14)20-17(21)13-7-4-3-5-8-13/h3-11,16H,2,12,19H2,1H3,(H,20,21)/t16-,18-/m0/s1
InChIKeyXEGWNPZUHVMEAP-WMZOPIPTSA-N
XLogP3.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[(1S,2R)-2-amino-2-ethylcyclopropyl]phenyl]-4-phenylbenzamide
CID 90212569
[3-[[3-(2-amino-2-ethylcyclopropyl)phenyl]carbamoyl]phenyl]carbamic acid
CID 155044907
N-[4-[(1S,2R)-2-amino-2-ethylcyclopropyl]phenyl]-4-phenylbenzamide
CID 74763834
N-[3-[(1S,2S)-2-aminocyclopropyl]phenyl]benzamide
CID 118734108
N-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]benzamide;hydrochloride
CID 90198019
N-(3-benzamidophenyl)-4-ethylbenzamide
CID 17102471
[4-[(3-benzamidophenyl)methylcarbamoyl]phenyl] ethyl carbonate
CID 108932051
N-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-3-phenylbenzamide
CID 90204670
4-N-(3-acetamidophenyl)-1-N-benzylbenzene-1,4-dicarboxamide
CID 109046750
N-[3-(2-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 2937708
propyl 3-[[4-(2-oxo-2-phenylacetyl)benzoyl]amino]benzoate
CID 2787450
N-[4-(2-amino-2-ethylcyclopropyl)-2-fluorophenyl]-2-naphthalen-1-ylacetamide
CID 90205067

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]benzamide?
The IUPAC name of N-[3-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]benzamide (CID 90205042) is N-[3-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]benzamide.
What is the SMILES notation for N-[3-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]benzamide?
The canonical SMILES for N-[3-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]benzamide is CC[C@]1(N)C[C@H]1c1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]benzamide?
The InChIKey is XEGWNPZUHVMEAP-WMZOPIPTSA-N. The full InChI is InChI=1S/C18H20N2O/c1-2-18(19)12-16(18)14-9-6-10-15(11-14)20-17(21)13-7-4-3-5-8-13/h3-11,16H,2,12,19H2,1H3,(H,20,21)/t16-,18-/m0/s1.
What are the key properties of N-[3-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]benzamide?
N-[3-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]benzamide has a molecular weight of 280.37 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]benzamide is sourced from PubChem (CID 90205042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).