N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide

C19H21NO2 — CID 22578103

IUPACN-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(NCCCc1ccccc1)C1COc2ccccc2C1
InChIInChI=1S/C19H21NO2/c21-19(20-12-6-9-15-7-2-1-3-8-15)17-13-16-10-4-5-11-18(16)22-14-17/h1-5,7-8,10-11,17H,6,9,12-14H2,(H,20,21)
InChIKeyBENNYMFAIVYTAL-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.99
Rot. Bonds5

About N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide

N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 22578103) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID22578103
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC NameN-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(NCCCc1ccccc1)C1COc2ccccc2C1
InChIInChI=1S/C19H21NO2/c21-19(20-12-6-9-15-7-2-1-3-8-15)17-13-16-10-4-5-11-18(16)22-14-17/h1-5,7-8,10-11,17H,6,9,12-14H2,(H,20,21)
InChIKeyBENNYMFAIVYTAL-UHFFFAOYSA-N
XLogP2.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide 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

4-(3,4-dihydro-2H-chromene-3-carbonylamino)butanoic acid
CID 43241764
N-(4-hydroxybutyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 106843420
(3R)-N-benzyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 9243365
6-(3,4-dihydro-2H-chromene-3-carbonylamino)hexanoic acid
CID 43241983
N-(3-cyanopropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 63589285
(3R)-N-(3-methylsulfonylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95644954
N-(4-cyanobutyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 63284588
(3R)-6-(2,2-dimethylpropanoylamino)-N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091355
(3S)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97029666
N-(3-propan-2-yloxypropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578122
(3S)-6-(pentanoylamino)-N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091271
N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 42891679

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 22578103) is N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide is O=C(NCCCc1ccccc1)C1COc2ccccc2C1.
What is the InChIKey of N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is BENNYMFAIVYTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c21-19(20-12-6-9-15-7-2-1-3-8-15)17-13-16-10-4-5-11-18(16)22-14-17/h1-5,7-8,10-11,17H,6,9,12-14H2,(H,20,21).
What are the key properties of N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide?
N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 295.38 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 22578103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).