(2S)-N-[(3S,4S)-4-(methylamino)-3,4-dihydro-2H-chromen-3-yl]-2-phenylpropanamide

C19H22N2O2 — CID 134521718

IUPAC(2S)-N-[(3S,4S)-4-(methylamino)-3,4-dihydro-2H-chromen-3-yl]-2-phenylpropanamide
SMILESCN[C@H]1c2ccccc2OC[C@H]1NC(=O)[C@@H](C)c1ccccc1
InChIInChI=1S/C19H22N2O2/c1-13(14-8-4-3-5-9-14)19(22)21-16-12-23-17-11-7-6-10-15(17)18(16)20-2/h3-11,13,16,18,20H,12H2,1-2H3,(H,21,22)/t13-,16+,18-/m0/s1
InChIKeyDWHRIEUCCQEPTN-XCRHUMRWSA-N
MW310.40 g/mol
LogP2.63
Rot. Bonds4

About (2S)-N-[(3S,4S)-4-(methylamino)-3,4-dihydro-2H-chromen-3-yl]-2-phenylpropanamide

(2S)-N-[(3S,4S)-4-(methylamino)-3,4-dihydro-2H-chromen-3-yl]-2-phenylpropanamide (PubChem CID 134521718) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (2S)-N-[(3S,4S)-4-(methylamino)-3,4-dihydro-2H-chromen-3-yl]-2-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(3S,4S)-4-(methylamino)-3,4-dihydro-2H-chromen-3-yl]-2-phenylpropanamide
PubChem CID134521718
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(2S)-N-[(3S,4S)-4-(methylamino)-3,4-dihydro-2H-chromen-3-yl]-2-phenylpropanamide
SMILESCN[C@H]1c2ccccc2OC[C@H]1NC(=O)[C@@H](C)c1ccccc1
InChIInChI=1S/C19H22N2O2/c1-13(14-8-4-3-5-9-14)19(22)21-16-12-23-17-11-7-6-10-15(17)18(16)20-2/h3-11,13,16,18,20H,12H2,1-2H3,(H,21,22)/t13-,16+,18-/m0/s1
InChIKeyDWHRIEUCCQEPTN-XCRHUMRWSA-N
XLogP2.63
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(3S,4S)-4-methylsulfanyl-3,4-dihydro-2H-chromen-3-yl]-2-phenylpropanamide
CID 146234615
N-[(3R,4R)-4-methylsulfonyl-3,4-dihydro-2H-chromen-3-yl]-2-phenylpropanamide
CID 134521738
(2S)-N-[4-(dimethylamino)-3,4-dihydro-2H-chromen-3-yl]-2-(4-fluorophenyl)propanamide
CID 134536633
2-(4-fluorophenyl)-N-(4-methylsulfonyl-3,4-dihydro-2H-chromen-3-yl)propanamide
CID 172873483
2-(4-fluorophenyl)-N-[4-(methylamino)-3,4-dihydro-2H-chromen-3-yl]acetamide
CID 134536580
(2R)-N-[(2S,3S)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-phenylpropanamide
CID 18646616
N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylpropanamide
CID 70273214
N-methyl-2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanamide
CID 104524073
1-[(3R,4R)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-3-[(1S)-1-(4-phenylphenyl)ethyl]urea
CID 166350491
N-[(3R,4S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2,2-diphenylacetamide
CID 10789005
tert-butyl N-[(2R)-2-[[(2S)-2-phenylpropanoyl]amino]-2,3-dihydro-1H-inden-1-yl]carbamate
CID 130292738
(2R)-2-amino-N-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutanamide
CID 79012503

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3S,4S)-4-(methylamino)-3,4-dihydro-2H-chromen-3-yl]-2-phenylpropanamide?
The IUPAC name of (2S)-N-[(3S,4S)-4-(methylamino)-3,4-dihydro-2H-chromen-3-yl]-2-phenylpropanamide (CID 134521718) is (2S)-N-[(3S,4S)-4-(methylamino)-3,4-dihydro-2H-chromen-3-yl]-2-phenylpropanamide.
What is the SMILES notation for (2S)-N-[(3S,4S)-4-(methylamino)-3,4-dihydro-2H-chromen-3-yl]-2-phenylpropanamide?
The canonical SMILES for (2S)-N-[(3S,4S)-4-(methylamino)-3,4-dihydro-2H-chromen-3-yl]-2-phenylpropanamide is CN[C@H]1c2ccccc2OC[C@H]1NC(=O)[C@@H](C)c1ccccc1.
What is the InChIKey of (2S)-N-[(3S,4S)-4-(methylamino)-3,4-dihydro-2H-chromen-3-yl]-2-phenylpropanamide?
The InChIKey is DWHRIEUCCQEPTN-XCRHUMRWSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-13(14-8-4-3-5-9-14)19(22)21-16-12-23-17-11-7-6-10-15(17)18(16)20-2/h3-11,13,16,18,20H,12H2,1-2H3,(H,21,22)/t13-,16+,18-/m0/s1.
What are the key properties of (2S)-N-[(3S,4S)-4-(methylamino)-3,4-dihydro-2H-chromen-3-yl]-2-phenylpropanamide?
(2S)-N-[(3S,4S)-4-(methylamino)-3,4-dihydro-2H-chromen-3-yl]-2-phenylpropanamide has a molecular weight of 310.40 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3S,4S)-4-(methylamino)-3,4-dihydro-2H-chromen-3-yl]-2-phenylpropanamide is sourced from PubChem (CID 134521718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).