N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide

C20H21N3O4 — CID 46494494

IUPACN-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESNC(=O)CNC(=O)c1ccc(CNC(=O)C2COc3ccccc3C2)cc1
InChIInChI=1S/C20H21N3O4/c21-18(24)11-23-19(25)14-7-5-13(6-8-14)10-22-20(26)16-9-15-3-1-2-4-17(15)27-12-16/h1-8,16H,9-12H2,(H2,21,24)(H,22,26)(H,23,25)
InChIKeyCSLFZUMJZWSLJM-UHFFFAOYSA-N
MW367.41 g/mol
LogP0.77
Rot. Bonds6

About N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide

N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 46494494) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID46494494
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESNC(=O)CNC(=O)c1ccc(CNC(=O)C2COc3ccccc3C2)cc1
InChIInChI=1S/C20H21N3O4/c21-18(24)11-23-19(25)14-7-5-13(6-8-14)10-22-20(26)16-9-15-3-1-2-4-17(15)27-12-16/h1-8,16H,9-12H2,(H2,21,24)(H,22,26)(H,23,25)
InChIKeyCSLFZUMJZWSLJM-UHFFFAOYSA-N
XLogP0.77
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide with MolForge

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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
(3S)-N-[(4-ethoxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 92713220
(3S)-N-(furan-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 97275381
(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
N-[(4-carbamoylphenyl)methyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide
CID 46560653
N-[3-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55868914
N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 42891679
(3R)-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 51546919
N-(2-amino-2-oxoethyl)-4-[[[N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N'-methylcarbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111949900
N-(2-bromoprop-2-enyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 113227517

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 46494494) is N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide is NC(=O)CNC(=O)c1ccc(CNC(=O)C2COc3ccccc3C2)cc1.
What is the InChIKey of N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is CSLFZUMJZWSLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c21-18(24)11-23-19(25)14-7-5-13(6-8-14)10-22-20(26)16-9-15-3-1-2-4-17(15)27-12-16/h1-8,16H,9-12H2,(H2,21,24)(H,22,26)(H,23,25).
What are the key properties of N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 0.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 46494494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).