cis-(1R,2S)-N-(3-amino-3-oxopropyl)-N,2-diphenylcyclopropane-1-carboxamide

C19H20N2O2 — CID 95568350

IUPACcis-(1R,2S)-N-(3-amino-3-oxopropyl)-N,2-diphenylcyclopropane-1-carboxamide
SMILESNC(=O)CCN(C(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20N2O2/c20-18(22)11-12-21(15-9-5-2-6-10-15)19(23)17-13-16(17)14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H2,20,22)/t16-,17-/m1/s1
InChIKeyOMGGDAQIYMJFBC-IAGOWNOFSA-N
MW308.38 g/mol
LogP2.70
Rot. Bonds6

About cis-(1R,2S)-N-(3-amino-3-oxopropyl)-N,2-diphenylcyclopropane-1-carboxamide

cis-(1R,2S)-N-(3-amino-3-oxopropyl)-N,2-diphenylcyclopropane-1-carboxamide (PubChem CID 95568350) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is cis-(1R,2S)-N-(3-amino-3-oxopropyl)-N,2-diphenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-(3-amino-3-oxopropyl)-N,2-diphenylcyclopropane-1-carboxamide
PubChem CID95568350
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Namecis-(1R,2S)-N-(3-amino-3-oxopropyl)-N,2-diphenylcyclopropane-1-carboxamide
SMILESNC(=O)CCN(C(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20N2O2/c20-18(22)11-12-21(15-9-5-2-6-10-15)19(23)17-13-16(17)14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H2,20,22)/t16-,17-/m1/s1
InChIKeyOMGGDAQIYMJFBC-IAGOWNOFSA-N
XLogP2.70
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-(3-amino-3-oxopropyl)-N,2-diphenylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-(3-amino-3-oxopropyl)-N,2-diphenylcyclopropane-1-carboxamide (CID 95568350) is cis-(1R,2S)-N-(3-amino-3-oxopropyl)-N,2-diphenylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-(3-amino-3-oxopropyl)-N,2-diphenylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-(3-amino-3-oxopropyl)-N,2-diphenylcyclopropane-1-carboxamide is NC(=O)CCN(C(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccccc1.
What is the InChIKey of cis-(1R,2S)-N-(3-amino-3-oxopropyl)-N,2-diphenylcyclopropane-1-carboxamide?
The InChIKey is OMGGDAQIYMJFBC-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H20N2O2/c20-18(22)11-12-21(15-9-5-2-6-10-15)19(23)17-13-16(17)14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H2,20,22)/t16-,17-/m1/s1.
What are the key properties of cis-(1R,2S)-N-(3-amino-3-oxopropyl)-N,2-diphenylcyclopropane-1-carboxamide?
cis-(1R,2S)-N-(3-amino-3-oxopropyl)-N,2-diphenylcyclopropane-1-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-(3-amino-3-oxopropyl)-N,2-diphenylcyclopropane-1-carboxamide is sourced from PubChem (CID 95568350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).