(2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-phenylacetamide

C15H22N2O2 — CID 93093422

IUPAC(2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-phenylacetamide
SMILESN[C@H](C(=O)NCCCOCC1CC1)c1ccccc1
InChIInChI=1S/C15H22N2O2/c16-14(13-5-2-1-3-6-13)15(18)17-9-4-10-19-11-12-7-8-12/h1-3,5-6,12,14H,4,7-11,16H2,(H,17,18)/t14-/m0/s1
InChIKeyKZLUEAMHCBGIFR-AWEZNQCLSA-N
MW262.35 g/mol
LogP1.62
Rot. Bonds8

About (2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-phenylacetamide

(2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-phenylacetamide (PubChem CID 93093422) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-phenylacetamide
PubChem CID93093422
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-phenylacetamide
SMILESN[C@H](C(=O)NCCCOCC1CC1)c1ccccc1
InChIInChI=1S/C15H22N2O2/c16-14(13-5-2-1-3-6-13)15(18)17-9-4-10-19-11-12-7-8-12/h1-3,5-6,12,14H,4,7-11,16H2,(H,17,18)/t14-/m0/s1
InChIKeyKZLUEAMHCBGIFR-AWEZNQCLSA-N
XLogP1.62
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-(4-methylphenyl)acetamide
CID 106151199
(2R)-2-amino-N-[3-(2-methoxyethoxy)propyl]-2-phenylacetamide
CID 61275798
2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-thiophen-2-ylacetamide
CID 115286057
3-amino-2-methyl-N-[3-(oxan-4-ylmethoxy)propyl]-3-phenylpropanamide;hydrochloride
CID 119800003
2-amino-N-(3-methoxypropyl)-2-phenylacetamide;hydrochloride
CID 119262550
(2S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-2-phenylacetamide
CID 104898158
2-amino-N-(2-cyclopentylethyl)-2-phenylacetamide;hydrochloride
CID 119289820
3-(cyclopropylmethoxy)-N-(1-phenylethyl)propan-1-amine
CID 43183021
(2R)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-3-(4-hydroxyphenyl)propanamide
CID 104904734
2-[[(2S)-2-amino-2-phenylacetyl]amino]ethyl carbamate
CID 104898331
2-amino-N-(5-hydroxypentyl)-2-phenylacetamide
CID 69266542
(2S)-2-amino-N-decyl-2-phenylacetamide
CID 104898142

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-phenylacetamide?
The IUPAC name of (2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-phenylacetamide (CID 93093422) is (2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-phenylacetamide is N[C@H](C(=O)NCCCOCC1CC1)c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-phenylacetamide?
The InChIKey is KZLUEAMHCBGIFR-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22N2O2/c16-14(13-5-2-1-3-6-13)15(18)17-9-4-10-19-11-12-7-8-12/h1-3,5-6,12,14H,4,7-11,16H2,(H,17,18)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-phenylacetamide?
(2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-phenylacetamide has a molecular weight of 262.35 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-phenylacetamide is sourced from PubChem (CID 93093422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).