N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide

C20H28N2O2 — CID 97444843

IUPACN-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
SMILESO=C(NC[C@H]1COc2ccccc2C1)C1(N2CCCC2)CCCC1
InChIInChI=1S/C20H28N2O2/c23-19(20(9-3-4-10-20)22-11-5-6-12-22)21-14-16-13-17-7-1-2-8-18(17)24-15-16/h1-2,7-8,16H,3-6,9-15H2,(H,21,23)/t16-/m0/s1
InChIKeyDPDSVUFNTNZHHM-INIZCTEOSA-N
MW328.46 g/mol
LogP2.76
Rot. Bonds4

About N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide

N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide (PubChem CID 97444843) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
PubChem CID97444843
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC NameN-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
SMILESO=C(NC[C@H]1COc2ccccc2C1)C1(N2CCCC2)CCCC1
InChIInChI=1S/C20H28N2O2/c23-19(20(9-3-4-10-20)22-11-5-6-12-22)21-14-16-13-17-7-1-2-8-18(17)24-15-16/h1-2,7-8,16H,3-6,9-15H2,(H,21,23)/t16-/m0/s1
InChIKeyDPDSVUFNTNZHHM-INIZCTEOSA-N
XLogP2.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)cyclopentane-1-carboxamide
CID 55394817
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]morpholine-4-carboxamide
CID 94513083
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-2-carboxamide
CID 99779688
1-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylurea
CID 47117479
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-methylbenzamide
CID 51211932
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-naphthalen-2-ylacetamide
CID 51212134
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 134034904
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-morpholin-4-ylbenzamide
CID 72860096
1-benzhydryl-3-(3,4-dihydro-2H-chromen-3-ylmethyl)urea
CID 55769875
N-(3,4-dihydro-2H-chromen-3-ylmethyl)pyrazine-2-carboxamide
CID 47115544
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 175826677
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylsulfanylpropanamide
CID 72920738

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
The IUPAC name of N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide (CID 97444843) is N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide is O=C(NC[C@H]1COc2ccccc2C1)C1(N2CCCC2)CCCC1.
What is the InChIKey of N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
The InChIKey is DPDSVUFNTNZHHM-INIZCTEOSA-N. The full InChI is InChI=1S/C20H28N2O2/c23-19(20(9-3-4-10-20)22-11-5-6-12-22)21-14-16-13-17-7-1-2-8-18(17)24-15-16/h1-2,7-8,16H,3-6,9-15H2,(H,21,23)/t16-/m0/s1.
What are the key properties of N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 97444843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).