(3S)-N-[(4-ethoxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide

C19H21NO3 — CID 92713220

IUPAC(3S)-N-[(4-ethoxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCCOc1ccc(CNC(=O)[C@@H]2COc3ccccc3C2)cc1
InChIInChI=1S/C19H21NO3/c1-2-22-17-9-7-14(8-10-17)12-20-19(21)16-11-15-5-3-4-6-18(15)23-13-16/h3-10,16H,2,11-13H2,1H3,(H,20,21)/t16-/m0/s1
InChIKeyBXWXMCUEKIICLD-INIZCTEOSA-N
MW311.38 g/mol
LogP2.95
Rot. Bonds5

About (3S)-N-[(4-ethoxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide

(3S)-N-[(4-ethoxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 92713220) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is (3S)-N-[(4-ethoxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(4-ethoxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID92713220
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name(3S)-N-[(4-ethoxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCCOc1ccc(CNC(=O)[C@@H]2COc3ccccc3C2)cc1
InChIInChI=1S/C19H21NO3/c1-2-22-17-9-7-14(8-10-17)12-20-19(21)16-11-15-5-3-4-6-18(15)23-13-16/h3-10,16H,2,11-13H2,1H3,(H,20,21)/t16-/m0/s1
InChIKeyBXWXMCUEKIICLD-INIZCTEOSA-N
XLogP2.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-benzyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 9243365
N-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 115577899
N-[[4-(diethylcarbamoyl)phenyl]methyl]-6-ethoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 86896269
N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 42891679
6-ethoxy-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 86897008
(3S)-N-[(6-phenoxy-3-pyridinyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97082832
(3S)-N-[(3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 92713196
N-[(4-fluoro-3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 46674166
(3S)-N-(furan-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 97275381
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 46494494
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 175826677
N-[(1-propan-2-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72873004

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(4-ethoxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3S)-N-[(4-ethoxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 92713220) is (3S)-N-[(4-ethoxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3S)-N-[(4-ethoxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3S)-N-[(4-ethoxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide is CCOc1ccc(CNC(=O)[C@@H]2COc3ccccc3C2)cc1.
What is the InChIKey of (3S)-N-[(4-ethoxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is BXWXMCUEKIICLD-INIZCTEOSA-N. The full InChI is InChI=1S/C19H21NO3/c1-2-22-17-9-7-14(8-10-17)12-20-19(21)16-11-15-5-3-4-6-18(15)23-13-16/h3-10,16H,2,11-13H2,1H3,(H,20,21)/t16-/m0/s1.
What are the key properties of (3S)-N-[(4-ethoxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
(3S)-N-[(4-ethoxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(4-ethoxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 92713220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).