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

C19H29NO3 — CID 10710770

IUPACpropan-2-yl (3R)-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxylate
SMILESCCCN(C(C)C)[C@H]1COc2cccc(C(=O)OC(C)C)c2C1
InChIInChI=1S/C19H29NO3/c1-6-10-20(13(2)3)15-11-17-16(19(21)23-14(4)5)8-7-9-18(17)22-12-15/h7-9,13-15H,6,10-12H2,1-5H3/t15-/m1/s1
InChIKeyYBKFSQZNQAYUJH-OAHLLOKOSA-N
MW319.45 g/mol
LogP3.68
Rot. Bonds6

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

propan-2-yl (3R)-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxylate (PubChem CID 10710770) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is propan-2-yl (3R)-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxylate.

Molecular Properties

Compound Namepropan-2-yl (3R)-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxylate
PubChem CID10710770
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC Namepropan-2-yl (3R)-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxylate
SMILESCCCN(C(C)C)[C@H]1COc2cccc(C(=O)OC(C)C)c2C1
InChIInChI=1S/C19H29NO3/c1-6-10-20(13(2)3)15-11-17-16(19(21)23-14(4)5)8-7-9-18(17)22-12-15/h7-9,13-15H,6,10-12H2,1-5H3/t15-/m1/s1
InChIKeyYBKFSQZNQAYUJH-OAHLLOKOSA-N
XLogP3.68
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.68
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
methyl (3R)-3-[cyclopentyl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxylate
CID 10591590
(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
N-propan-2-yl-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-1-benzopyran-5-carboxamide
CID 208904
(1-Methylpiperidin-3-yl) 3-methoxybenzoate;hydrochloride
CID 6603181
(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

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (3R)-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxylate?
The IUPAC name of propan-2-yl (3R)-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxylate (CID 10710770) is propan-2-yl (3R)-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxylate.
What is the SMILES notation for propan-2-yl (3R)-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxylate?
The canonical SMILES for propan-2-yl (3R)-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxylate is CCCN(C(C)C)[C@H]1COc2cccc(C(=O)OC(C)C)c2C1.
What is the InChIKey of propan-2-yl (3R)-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxylate?
The InChIKey is YBKFSQZNQAYUJH-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H29NO3/c1-6-10-20(13(2)3)15-11-17-16(19(21)23-14(4)5)8-7-9-18(17)22-12-15/h7-9,13-15H,6,10-12H2,1-5H3/t15-/m1/s1.
What are the key properties of propan-2-yl (3R)-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxylate?
propan-2-yl (3R)-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxylate has a molecular weight of 319.45 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (3R)-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxylate is sourced from PubChem (CID 10710770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).