2-amino-N-[(2S,6S)-2-(hydroxymethyl)-6-methyloxan-3-yl]-3-phenylpropanamide

C16H24N2O3 — CID 163831007

IUPAC2-amino-N-[(2S,6S)-2-(hydroxymethyl)-6-methyloxan-3-yl]-3-phenylpropanamide
SMILESC[C@H]1CCC(NC(=O)C(N)Cc2ccccc2)[C@@H](CO)O1
InChIInChI=1S/C16H24N2O3/c1-11-7-8-14(15(10-19)21-11)18-16(20)13(17)9-12-5-3-2-4-6-12/h2-6,11,13-15,19H,7-10,17H2,1H3,(H,18,20)/t11-,13?,14?,15+/m0/s1
InChIKeyODPZIEQZIIHAAL-VYESFELBSA-N
MW292.38 g/mol
LogP0.60
Rot. Bonds5

About 2-amino-N-[(2S,6S)-2-(hydroxymethyl)-6-methyloxan-3-yl]-3-phenylpropanamide

2-amino-N-[(2S,6S)-2-(hydroxymethyl)-6-methyloxan-3-yl]-3-phenylpropanamide (PubChem CID 163831007) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-amino-N-[(2S,6S)-2-(hydroxymethyl)-6-methyloxan-3-yl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(2S,6S)-2-(hydroxymethyl)-6-methyloxan-3-yl]-3-phenylpropanamide
PubChem CID163831007
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-amino-N-[(2S,6S)-2-(hydroxymethyl)-6-methyloxan-3-yl]-3-phenylpropanamide
SMILESC[C@H]1CCC(NC(=O)C(N)Cc2ccccc2)[C@@H](CO)O1
InChIInChI=1S/C16H24N2O3/c1-11-7-8-14(15(10-19)21-11)18-16(20)13(17)9-12-5-3-2-4-6-12/h2-6,11,13-15,19H,7-10,17H2,1H3,(H,18,20)/t11-,13?,14?,15+/m0/s1
InChIKeyODPZIEQZIIHAAL-VYESFELBSA-N
XLogP0.60
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-[(2S,6S)-2-(hydroxymethyl)-6-methyloxan-3-yl]-3-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 14837100
(2R)-2-amino-N-(3,4-dimethylcyclohexyl)-3-phenylpropanamide
CID 64741348
2-amino-N-(3,5-dimethylcyclohexyl)-3-phenylpropanamide
CID 64732718
cis-(1R,3S)-3-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 106322850
(2R)-2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-3-phenylpropanamide
CID 107221661
4-[[(2S)-2-amino-3-phenylpropanoyl]amino]oxolane-3-carboxylic acid
CID 66238523
2-amino-N-(4-ethylcyclohexyl)-3-phenylpropanamide
CID 61470376
(2S)-2-amino-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide
CID 91079232
(2S)-2-amino-N-(3-methylcyclohexyl)-3-phenylpropanamide;hydrochloride
CID 119285428
(2S)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-phenylpropanamide
CID 78995761
(2S)-2-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide
CID 119285391
(2R)-2-amino-N-(1-methylpyrrolidin-3-yl)-3-phenylpropanamide
CID 78985707

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2S,6S)-2-(hydroxymethyl)-6-methyloxan-3-yl]-3-phenylpropanamide?
The IUPAC name of 2-amino-N-[(2S,6S)-2-(hydroxymethyl)-6-methyloxan-3-yl]-3-phenylpropanamide (CID 163831007) is 2-amino-N-[(2S,6S)-2-(hydroxymethyl)-6-methyloxan-3-yl]-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[(2S,6S)-2-(hydroxymethyl)-6-methyloxan-3-yl]-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-[(2S,6S)-2-(hydroxymethyl)-6-methyloxan-3-yl]-3-phenylpropanamide is C[C@H]1CCC(NC(=O)C(N)Cc2ccccc2)[C@@H](CO)O1.
What is the InChIKey of 2-amino-N-[(2S,6S)-2-(hydroxymethyl)-6-methyloxan-3-yl]-3-phenylpropanamide?
The InChIKey is ODPZIEQZIIHAAL-VYESFELBSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11-7-8-14(15(10-19)21-11)18-16(20)13(17)9-12-5-3-2-4-6-12/h2-6,11,13-15,19H,7-10,17H2,1H3,(H,18,20)/t11-,13?,14?,15+/m0/s1.
What are the key properties of 2-amino-N-[(2S,6S)-2-(hydroxymethyl)-6-methyloxan-3-yl]-3-phenylpropanamide?
2-amino-N-[(2S,6S)-2-(hydroxymethyl)-6-methyloxan-3-yl]-3-phenylpropanamide has a molecular weight of 292.38 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2S,6S)-2-(hydroxymethyl)-6-methyloxan-3-yl]-3-phenylpropanamide is sourced from PubChem (CID 163831007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).