cis-(1R,2S)-2-diphenylphosphoryl-1-methyl-N,N-di(propan-2-yl)cyclopropane-1-carboxamide

C23H30NO2P — CID 102475093

IUPACcis-(1R,2S)-2-diphenylphosphoryl-1-methyl-N,N-di(propan-2-yl)cyclopropane-1-carboxamide
SMILESCC(C)N(C(=O)[C@@]1(C)C[C@@H]1P(=O)(c1ccccc1)c1ccccc1)C(C)C
InChIInChI=1S/C23H30NO2P/c1-17(2)24(18(3)4)22(25)23(5)16-21(23)27(26,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,17-18,21H,16H2,1-5H3/t21-,23-/m0/s1
InChIKeyFKYCAFLDROZISH-GMAHTHKFSA-N
MW383.47 g/mol
LogP4.42
Rot. Bonds6

About cis-(1R,2S)-2-diphenylphosphoryl-1-methyl-N,N-di(propan-2-yl)cyclopropane-1-carboxamide

cis-(1R,2S)-2-diphenylphosphoryl-1-methyl-N,N-di(propan-2-yl)cyclopropane-1-carboxamide (PubChem CID 102475093) has the molecular formula C23H30NO2P and a molecular weight of 383.47 g/mol. Its IUPAC name is cis-(1R,2S)-2-diphenylphosphoryl-1-methyl-N,N-di(propan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-diphenylphosphoryl-1-methyl-N,N-di(propan-2-yl)cyclopropane-1-carboxamide
PubChem CID102475093
Molecular FormulaC23H30NO2P
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC Namecis-(1R,2S)-2-diphenylphosphoryl-1-methyl-N,N-di(propan-2-yl)cyclopropane-1-carboxamide
SMILESCC(C)N(C(=O)[C@@]1(C)C[C@@H]1P(=O)(c1ccccc1)c1ccccc1)C(C)C
InChIInChI=1S/C23H30NO2P/c1-17(2)24(18(3)4)22(25)23(5)16-21(23)27(26,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,17-18,21H,16H2,1-5H3/t21-,23-/m0/s1
InChIKeyFKYCAFLDROZISH-GMAHTHKFSA-N
XLogP4.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(diethylamino)-2-(diphenylphosphoryl)-N,N-diethylpropanamide
CID 2879771
1-(diphenylphosphoryl)-N,N-diethylcyclobutanecarboxamide
CID 1046768
Acetamide, 2-(diphenylphosphinyl)-N,N-diethyl-
CID 796632
2-(diphenylphosphoryl)-N,N-dipropylacetamide
CID 2193730
N,N-dibutyl-1-(diphenylphosphoryl)cyclobutanecarboxamide
CID 1909338
1-(diphenylphosphoryl)-N,N-diethylcyclopropanecarboxamide
CID 698851
Acetamide, N,N-dibutyl-2-(diphenylphosphinyl)-
CID 4126391
diphenyl-N,N-dibutyl-carbamoylphosphineoxide
CID 15461320
2-(Diphenylphosphoryl)-N,N-bis(2-methylpropyl)acetamide
CID 13972021
(phenyl) N,N-diisobutylcarbamoylmethyl phosphine oxide
CID 68812233
1-[(2S)-2-[(Diphenylphosphino)methyl]-1-pyrrolidinyl]-2,2-dimethyl-1-propanone
CID 10981083
1-[(2S)-2-(diphenylphosphanylmethyl)-4,4-dimethylpyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 11025347

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-diphenylphosphoryl-1-methyl-N,N-di(propan-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-diphenylphosphoryl-1-methyl-N,N-di(propan-2-yl)cyclopropane-1-carboxamide (CID 102475093) is cis-(1R,2S)-2-diphenylphosphoryl-1-methyl-N,N-di(propan-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-diphenylphosphoryl-1-methyl-N,N-di(propan-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-diphenylphosphoryl-1-methyl-N,N-di(propan-2-yl)cyclopropane-1-carboxamide is CC(C)N(C(=O)[C@@]1(C)C[C@@H]1P(=O)(c1ccccc1)c1ccccc1)C(C)C.
What is the InChIKey of cis-(1R,2S)-2-diphenylphosphoryl-1-methyl-N,N-di(propan-2-yl)cyclopropane-1-carboxamide?
The InChIKey is FKYCAFLDROZISH-GMAHTHKFSA-N. The full InChI is InChI=1S/C23H30NO2P/c1-17(2)24(18(3)4)22(25)23(5)16-21(23)27(26,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,17-18,21H,16H2,1-5H3/t21-,23-/m0/s1.
What are the key properties of cis-(1R,2S)-2-diphenylphosphoryl-1-methyl-N,N-di(propan-2-yl)cyclopropane-1-carboxamide?
cis-(1R,2S)-2-diphenylphosphoryl-1-methyl-N,N-di(propan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-diphenylphosphoryl-1-methyl-N,N-di(propan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 102475093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).