cis-(1S,2R)-2-[(S)-amino(phenyl)methyl]-N,N-diethyl-1-phenylcyclopropane-1-carboxamide

C21H26N2O — CID 102247196

IUPACcis-(1S,2R)-2-[(S)-amino(phenyl)methyl]-N,N-diethyl-1-phenylcyclopropane-1-carboxamide
SMILESCCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@H]1[C@H](N)c1ccccc1
InChIInChI=1S/C21H26N2O/c1-3-23(4-2)20(24)21(17-13-9-6-10-14-17)15-18(21)19(22)16-11-7-5-8-12-16/h5-14,18-19H,3-4,15,22H2,1-2H3/t18-,19+,21+/m0/s1
InChIKeyKOSGEDAJBHAPOI-QKNQBKEWSA-N
MW322.45 g/mol
LogP3.51
Rot. Bonds6

About cis-(1S,2R)-2-[(S)-amino(phenyl)methyl]-N,N-diethyl-1-phenylcyclopropane-1-carboxamide

cis-(1S,2R)-2-[(S)-amino(phenyl)methyl]-N,N-diethyl-1-phenylcyclopropane-1-carboxamide (PubChem CID 102247196) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(S)-amino(phenyl)methyl]-N,N-diethyl-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(S)-amino(phenyl)methyl]-N,N-diethyl-1-phenylcyclopropane-1-carboxamide
PubChem CID102247196
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Namecis-(1S,2R)-2-[(S)-amino(phenyl)methyl]-N,N-diethyl-1-phenylcyclopropane-1-carboxamide
SMILESCCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@H]1[C@H](N)c1ccccc1
InChIInChI=1S/C21H26N2O/c1-3-23(4-2)20(24)21(17-13-9-6-10-14-17)15-18(21)19(22)16-11-7-5-8-12-16/h5-14,18-19H,3-4,15,22H2,1-2H3/t18-,19+,21+/m0/s1
InChIKeyKOSGEDAJBHAPOI-QKNQBKEWSA-N
XLogP3.51
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2R)-2-[(1R)-1-aminoethyl]-N,N-diethyl-1-phenylcyclopropane-1-carboxamide
CID 11032641
cis-(1R,2S)-N,N-diethyl-2-[(1S)-1-hydroxypropyl]-1-phenylcyclopropane-1-carboxamide
CID 10564350
[(R)-carboxy-[(1R,2S)-2-(diethylcarbamoyl)-2-phenylcyclopropyl]methyl]azanium chloride
CID 10853616
cis-(1S,2S)-N,N-diethyl-2-[(3R)-hexan-3-yl]-1-phenylcyclopropane-1-carboxamide
CID 125471059
(2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide
CID 58550489
cis-(1S,2R)-N,N,2-triethyl-1-phenylcyclopropane-1-carboxamide
CID 58535208
cis-(1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide chloride
CID 154730551
cis-(1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide chloride
CID 45114208
cis-(1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide;cis-(1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide;dihydrochloride
CID 73416954
cis-(1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide;hydron;chloride
CID 67108486
cis-(1R,2S)-2-[(dideuterioamino)methyl]-N,N-diethyl-1-phenylcyclopropane-1-carboxamide
CID 25217074
cis-(1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide sulfate
CID 25173688

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(S)-amino(phenyl)methyl]-N,N-diethyl-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-[(S)-amino(phenyl)methyl]-N,N-diethyl-1-phenylcyclopropane-1-carboxamide (CID 102247196) is cis-(1S,2R)-2-[(S)-amino(phenyl)methyl]-N,N-diethyl-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-[(S)-amino(phenyl)methyl]-N,N-diethyl-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-[(S)-amino(phenyl)methyl]-N,N-diethyl-1-phenylcyclopropane-1-carboxamide is CCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@H]1[C@H](N)c1ccccc1.
What is the InChIKey of cis-(1S,2R)-2-[(S)-amino(phenyl)methyl]-N,N-diethyl-1-phenylcyclopropane-1-carboxamide?
The InChIKey is KOSGEDAJBHAPOI-QKNQBKEWSA-N. The full InChI is InChI=1S/C21H26N2O/c1-3-23(4-2)20(24)21(17-13-9-6-10-14-17)15-18(21)19(22)16-11-7-5-8-12-16/h5-14,18-19H,3-4,15,22H2,1-2H3/t18-,19+,21+/m0/s1.
What are the key properties of cis-(1S,2R)-2-[(S)-amino(phenyl)methyl]-N,N-diethyl-1-phenylcyclopropane-1-carboxamide?
cis-(1S,2R)-2-[(S)-amino(phenyl)methyl]-N,N-diethyl-1-phenylcyclopropane-1-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(S)-amino(phenyl)methyl]-N,N-diethyl-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 102247196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).