(3S)-N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

C20H20N2O3 — CID 40880949

IUPAC(3S)-N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(NC1CC1)c1ccccc1NC(=O)[C@@H]1COc2ccccc2C1
InChIInChI=1S/C20H20N2O3/c23-19(14-11-13-5-1-4-8-18(13)25-12-14)22-17-7-3-2-6-16(17)20(24)21-15-9-10-15/h1-8,14-15H,9-12H2,(H,21,24)(H,22,23)/t14-/m0/s1
InChIKeyZKSDPJSTJNNURB-AWEZNQCLSA-N
MW336.39 g/mol
LogP2.77
Rot. Bonds4

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

(3S)-N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 40880949) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is (3S)-N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID40880949
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name(3S)-N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(NC1CC1)c1ccccc1NC(=O)[C@@H]1COc2ccccc2C1
InChIInChI=1S/C20H20N2O3/c23-19(14-11-13-5-1-4-8-18(13)25-12-14)22-17-7-3-2-6-16(17)20(24)21-15-9-10-15/h1-8,14-15H,9-12H2,(H,21,24)(H,22,23)/t14-/m0/s1
InChIKeyZKSDPJSTJNNURB-AWEZNQCLSA-N
XLogP2.77
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-6-chloro-N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 25496712
N-(4-hydroxycyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 43392973
N-(2-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 16648974
(3S)-N-(2-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 40840512
N-(4-bromocyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 114309203
N-(2-cyanophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 60675908
2-[[(1R)-cyclohex-3-ene-1-carbonyl]amino]-N-cyclopropylbenzamide
CID 51455987
3-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 66030337
N-(1H-indazol-7-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 46420816
N-(2-bromo-4-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 81028513
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134047840
N-(4-bromophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578129

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3S)-N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 40880949) is (3S)-N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3S)-N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is O=C(NC1CC1)c1ccccc1NC(=O)[C@@H]1COc2ccccc2C1.
What is the InChIKey of (3S)-N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is ZKSDPJSTJNNURB-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H20N2O3/c23-19(14-11-13-5-1-4-8-18(13)25-12-14)22-17-7-3-2-6-16(17)20(24)21-15-9-10-15/h1-8,14-15H,9-12H2,(H,21,24)(H,22,23)/t14-/m0/s1.
What are the key properties of (3S)-N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
(3S)-N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 40880949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).