N-[2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]ethyl]-3-methylbenzamide

C18H20N2O3 — CID 95904798

IUPACN-[2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCNC(=O)[C@@H](O)c2ccccc2)c1
InChIInChI=1S/C18H20N2O3/c1-13-6-5-9-15(12-13)17(22)19-10-11-20-18(23)16(21)14-7-3-2-4-8-14/h2-9,12,16,21H,10-11H2,1H3,(H,19,22)(H,20,23)/t16-/m0/s1
InChIKeyFUXNGURMQJCTDD-INIZCTEOSA-N
MW312.37 g/mol
LogP1.57
Rot. Bonds6

About N-[2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]ethyl]-3-methylbenzamide

N-[2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]ethyl]-3-methylbenzamide (PubChem CID 95904798) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]ethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]ethyl]-3-methylbenzamide
PubChem CID95904798
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCNC(=O)[C@@H](O)c2ccccc2)c1
InChIInChI=1S/C18H20N2O3/c1-13-6-5-9-15(12-13)17(22)19-10-11-20-18(23)16(21)14-7-3-2-4-8-14/h2-9,12,16,21H,10-11H2,1H3,(H,19,22)(H,20,23)/t16-/m0/s1
InChIKeyFUXNGURMQJCTDD-INIZCTEOSA-N
XLogP1.57
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(benzhydrylamino)-3-oxopropyl]-3-methylbenzamide
CID 2442272
3-methyl-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide
CID 108573755
3-[(2-hydroxy-2-phenylacetyl)amino]-N-propylbenzamide
CID 111536692
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methylbenzamide
CID 2421982
N-ethyl-3-[(2-hydroxy-2-phenylacetyl)amino]-4-methylbenzamide
CID 110895294
N-[(2S)-1-[[(3S)-3-hydroxy-3-phenylpropyl]amino]-1-oxopropan-2-yl]-3-methylbenzamide
CID 97007071
2-iodo-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
CID 108539173
3-methyl-N-phenacylbenzamide
CID 3417494
ethyl (2R,3S)-3-hydroxy-2-[[(3-methylbenzoyl)amino]methyl]-3-phenylpropanoate
CID 156788640
N-[3-(1,2-diphenylethylamino)-3-oxopropyl]-3-methylbenzamide
CID 43021863
tert-butyl N-[2-[(3-methylbenzoyl)amino]ethyl]carbamate
CID 71248417
N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-methylbenzamide
CID 108537853

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]ethyl]-3-methylbenzamide?
The IUPAC name of N-[2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]ethyl]-3-methylbenzamide (CID 95904798) is N-[2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]ethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]ethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]ethyl]-3-methylbenzamide is Cc1cccc(C(=O)NCCNC(=O)[C@@H](O)c2ccccc2)c1.
What is the InChIKey of N-[2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]ethyl]-3-methylbenzamide?
The InChIKey is FUXNGURMQJCTDD-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13-6-5-9-15(12-13)17(22)19-10-11-20-18(23)16(21)14-7-3-2-4-8-14/h2-9,12,16,21H,10-11H2,1H3,(H,19,22)(H,20,23)/t16-/m0/s1.
What are the key properties of N-[2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]ethyl]-3-methylbenzamide?
N-[2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]ethyl]-3-methylbenzamide has a molecular weight of 312.37 g/mol, XLogP of 1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]ethyl]-3-methylbenzamide is sourced from PubChem (CID 95904798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).