methyl (3R)-3-[cyclopentyl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxylate

C19H27NO3 — CID 10591590

IUPACmethyl (3R)-3-[cyclopentyl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxylate
SMILESCCCN(C1CCCC1)[C@H]1COc2cccc(C(=O)OC)c2C1
InChIInChI=1S/C19H27NO3/c1-3-11-20(14-7-4-5-8-14)15-12-17-16(19(21)22-2)9-6-10-18(17)23-13-15/h6,9-10,14-15H,3-5,7-8,11-13H2,1-2H3/t15-/m1/s1
InChIKeyRXVVCBGRMDHPBU-OAHLLOKOSA-N
MW317.43 g/mol
LogP3.43
Rot. Bonds5

About methyl (3R)-3-[cyclopentyl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxylate

methyl (3R)-3-[cyclopentyl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxylate (PubChem CID 10591590) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is methyl (3R)-3-[cyclopentyl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-3-[cyclopentyl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxylate
PubChem CID10591590
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Namemethyl (3R)-3-[cyclopentyl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxylate
SMILESCCCN(C1CCCC1)[C@H]1COc2cccc(C(=O)OC)c2C1
InChIInChI=1S/C19H27NO3/c1-3-11-20(14-7-4-5-8-14)15-12-17-16(19(21)22-2)9-6-10-18(17)23-13-15/h6,9-10,14-15H,3-5,7-8,11-13H2,1-2H3/t15-/m1/s1
InChIKeyRXVVCBGRMDHPBU-OAHLLOKOSA-N
XLogP3.43
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ebalzotan
CID 9797080
(R)-3-[Isopropyl(propyl)amino]-3,4-dihydro-2H-1-benzopyran-5-carboxamide
CID 10084845
(R)-3-(N-Isopropyl,N-n-propylamino)-5-methoxycarbonylchroman
CID 10108338
(3R)-3-[cyclopentyl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxamide
CID 10709505
(R)-3-(Cyclopentyl(propyl)amino)-N-methylchromane-5-carboxamide
CID 10757809
1-[(3R)-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromen-5-yl]ethanone
CID 10850019
propan-2-yl (3R)-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxylate
CID 10710770
N-propan-2-yl-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-1-benzopyran-5-carboxamide
CID 208904
(3R)-3-[2,2-dimethylpropyl(propyl)amino]-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide
CID 10519622
(3R)-3-(propan-2-ylamino)-3,4-dihydro-2H-chromene-5-carboxamide
CID 10537661
1-[(3S)-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromen-5-yl]ethanone
CID 10564353
(3R)-3-(propylamino)-3,4-dihydro-2H-chromene-5-carboxamide
CID 10585771

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-[cyclopentyl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxylate?
The IUPAC name of methyl (3R)-3-[cyclopentyl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxylate (CID 10591590) is methyl (3R)-3-[cyclopentyl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxylate.
What is the SMILES notation for methyl (3R)-3-[cyclopentyl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxylate?
The canonical SMILES for methyl (3R)-3-[cyclopentyl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxylate is CCCN(C1CCCC1)[C@H]1COc2cccc(C(=O)OC)c2C1.
What is the InChIKey of methyl (3R)-3-[cyclopentyl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxylate?
The InChIKey is RXVVCBGRMDHPBU-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H27NO3/c1-3-11-20(14-7-4-5-8-14)15-12-17-16(19(21)22-2)9-6-10-18(17)23-13-15/h6,9-10,14-15H,3-5,7-8,11-13H2,1-2H3/t15-/m1/s1.
What are the key properties of methyl (3R)-3-[cyclopentyl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxylate?
methyl (3R)-3-[cyclopentyl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxylate has a molecular weight of 317.43 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-[cyclopentyl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxylate is sourced from PubChem (CID 10591590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).