N-[[(1R,2R)-2-phenylcyclopropyl]methyl]acetamide

C12H15NO — CID 70274106

IUPACN-[[(1R,2R)-2-phenylcyclopropyl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C12H15NO/c1-9(14)13-8-11-7-12(11)10-5-3-2-4-6-10/h2-6,11-12H,7-8H2,1H3,(H,13,14)/t11-,12-/m0/s1
InChIKeyDATIXXNNZIAYGH-RYUDHWBXSA-N
MW189.26 g/mol
LogP1.93
Rot. Bonds3

About N-[[(1R,2R)-2-phenylcyclopropyl]methyl]acetamide

N-[[(1R,2R)-2-phenylcyclopropyl]methyl]acetamide (PubChem CID 70274106) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is N-[[(1R,2R)-2-phenylcyclopropyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(1R,2R)-2-phenylcyclopropyl]methyl]acetamide
PubChem CID70274106
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC NameN-[[(1R,2R)-2-phenylcyclopropyl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C12H15NO/c1-9(14)13-8-11-7-12(11)10-5-3-2-4-6-10/h2-6,11-12H,7-8H2,1H3,(H,13,14)/t11-,12-/m0/s1
InChIKeyDATIXXNNZIAYGH-RYUDHWBXSA-N
XLogP1.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-phenylcyclopropyl)methyl]acetamide
CID 70274109
1-cyclopropyl-3-[[(1R,2S)-2-phenylcyclopropyl]methyl]urea
CID 97081607
4-[[(1R,2R)-2-phenylcyclopropyl]methylcarbamoylamino]butanoic acid
CID 122015490
1-(4-chlorophenyl)-3-[(2-phenylcyclopropyl)methyl]urea
CID 155436496
N-tert-butyl-2-[[N'-methyl-N-[(2-phenylcyclopropyl)methyl]carbamimidoyl]amino]acetamide
CID 111558293
1-[[(1R,2R)-2-phenylcyclopropyl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122015491
4-(1-hydroxyethyl)-N-[(2-phenylcyclopropyl)methyl]piperidine-1-carboxamide
CID 111438789
N-tert-butyl-2-[[N'-methyl-N-[(2-phenylcyclopropyl)methyl]carbamimidoyl]amino]acetamide;hydroiodide
CID 111558292
3-[(2-phenylcyclopropyl)methylamino]propanamide
CID 115919599
1-benzyl-N-[(2-phenylcyclopropyl)methyl]pyrrole-2-carboxamide
CID 86936385
(2S)-2-[(2-phenylcyclopropyl)methylamino]propan-1-ol
CID 103880708
(2R)-2-[(2-phenylcyclopropyl)methylamino]propan-1-ol
CID 103880516

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2R)-2-phenylcyclopropyl]methyl]acetamide?
The IUPAC name of N-[[(1R,2R)-2-phenylcyclopropyl]methyl]acetamide (CID 70274106) is N-[[(1R,2R)-2-phenylcyclopropyl]methyl]acetamide.
What is the SMILES notation for N-[[(1R,2R)-2-phenylcyclopropyl]methyl]acetamide?
The canonical SMILES for N-[[(1R,2R)-2-phenylcyclopropyl]methyl]acetamide is CC(=O)NC[C@@H]1C[C@H]1c1ccccc1.
What is the InChIKey of N-[[(1R,2R)-2-phenylcyclopropyl]methyl]acetamide?
The InChIKey is DATIXXNNZIAYGH-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H15NO/c1-9(14)13-8-11-7-12(11)10-5-3-2-4-6-10/h2-6,11-12H,7-8H2,1H3,(H,13,14)/t11-,12-/m0/s1.
What are the key properties of N-[[(1R,2R)-2-phenylcyclopropyl]methyl]acetamide?
N-[[(1R,2R)-2-phenylcyclopropyl]methyl]acetamide has a molecular weight of 189.26 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2R)-2-phenylcyclopropyl]methyl]acetamide is sourced from PubChem (CID 70274106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).