(3S)-8-methoxy-N-[(1-pyrrolidin-1-ylcyclopentyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide

C21H30N2O3 — CID 97194876

IUPAC(3S)-8-methoxy-N-[(1-pyrrolidin-1-ylcyclopentyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1cccc2c1OC[C@@H](C(=O)NCC1(N3CCCC3)CCCC1)C2
InChIInChI=1S/C21H30N2O3/c1-25-18-8-6-7-16-13-17(14-26-19(16)18)20(24)22-15-21(9-2-3-10-21)23-11-4-5-12-23/h6-8,17H,2-5,9-15H2,1H3,(H,22,24)/t17-/m0/s1
InChIKeyALMOMPWLTCOAPN-KRWDZBQOSA-N
MW358.48 g/mol
LogP2.77
Rot. Bonds5

About (3S)-8-methoxy-N-[(1-pyrrolidin-1-ylcyclopentyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide

(3S)-8-methoxy-N-[(1-pyrrolidin-1-ylcyclopentyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 97194876) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is (3S)-8-methoxy-N-[(1-pyrrolidin-1-ylcyclopentyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3S)-8-methoxy-N-[(1-pyrrolidin-1-ylcyclopentyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID97194876
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name(3S)-8-methoxy-N-[(1-pyrrolidin-1-ylcyclopentyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1cccc2c1OC[C@@H](C(=O)NCC1(N3CCCC3)CCCC1)C2
InChIInChI=1S/C21H30N2O3/c1-25-18-8-6-7-16-13-17(14-26-19(16)18)20(24)22-15-21(9-2-3-10-21)23-11-4-5-12-23/h6-8,17H,2-5,9-15H2,1H3,(H,22,24)/t17-/m0/s1
InChIKeyALMOMPWLTCOAPN-KRWDZBQOSA-N
XLogP2.77
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-8-methoxy-N-[(1-pyrrolidin-1-ylcyclopentyl)methyl]-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

(3S)-8-methoxy-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97136197
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134015589
(3R)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 97132822
(3S)-8-methoxy-N-(2-propylsulfanylethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 97115385
(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 7023638
(3S)-N-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 98303481
8-methoxy-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 70782110
(3R)-8-methoxy-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95123510
(3S)-8-methoxy-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95123511
8-methoxy-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72927823
(3R)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 97110056
8-methoxy-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 46958337

Frequently Asked Questions

What is the IUPAC name of (3S)-8-methoxy-N-[(1-pyrrolidin-1-ylcyclopentyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3S)-8-methoxy-N-[(1-pyrrolidin-1-ylcyclopentyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 97194876) is (3S)-8-methoxy-N-[(1-pyrrolidin-1-ylcyclopentyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3S)-8-methoxy-N-[(1-pyrrolidin-1-ylcyclopentyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3S)-8-methoxy-N-[(1-pyrrolidin-1-ylcyclopentyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide is COc1cccc2c1OC[C@@H](C(=O)NCC1(N3CCCC3)CCCC1)C2.
What is the InChIKey of (3S)-8-methoxy-N-[(1-pyrrolidin-1-ylcyclopentyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is ALMOMPWLTCOAPN-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-25-18-8-6-7-16-13-17(14-26-19(16)18)20(24)22-15-21(9-2-3-10-21)23-11-4-5-12-23/h6-8,17H,2-5,9-15H2,1H3,(H,22,24)/t17-/m0/s1.
What are the key properties of (3S)-8-methoxy-N-[(1-pyrrolidin-1-ylcyclopentyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
(3S)-8-methoxy-N-[(1-pyrrolidin-1-ylcyclopentyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 358.48 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-8-methoxy-N-[(1-pyrrolidin-1-ylcyclopentyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 97194876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).