N-[(2R)-1-(3-chloro-4-cyclopentyloxyanilino)-1-oxopropan-2-yl]oxane-4-carboxamide

C20H27ClN2O4 — CID 95175612

IUPACN-[(2R)-1-(3-chloro-4-cyclopentyloxyanilino)-1-oxopropan-2-yl]oxane-4-carboxamide
SMILESC[C@@H](NC(=O)C1CCOCC1)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1
InChIInChI=1S/C20H27ClN2O4/c1-13(22-20(25)14-8-10-26-11-9-14)19(24)23-15-6-7-18(17(21)12-15)27-16-4-2-3-5-16/h6-7,12-14,16H,2-5,8-11H2,1H3,(H,22,25)(H,23,24)/t13-/m1/s1
InChIKeyRGASDIJHGZQXKA-CYBMUJFWSA-N
MW394.90 g/mol
LogP3.53
Rot. Bonds6

About N-[(2R)-1-(3-chloro-4-cyclopentyloxyanilino)-1-oxopropan-2-yl]oxane-4-carboxamide

N-[(2R)-1-(3-chloro-4-cyclopentyloxyanilino)-1-oxopropan-2-yl]oxane-4-carboxamide (PubChem CID 95175612) has the molecular formula C20H27ClN2O4 and a molecular weight of 394.90 g/mol. Its IUPAC name is N-[(2R)-1-(3-chloro-4-cyclopentyloxyanilino)-1-oxopropan-2-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(3-chloro-4-cyclopentyloxyanilino)-1-oxopropan-2-yl]oxane-4-carboxamide
PubChem CID95175612
Molecular FormulaC20H27ClN2O4
Molecular Weight394.90 g/mol
Exact Mass394.17
IUPAC NameN-[(2R)-1-(3-chloro-4-cyclopentyloxyanilino)-1-oxopropan-2-yl]oxane-4-carboxamide
SMILESC[C@@H](NC(=O)C1CCOCC1)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1
InChIInChI=1S/C20H27ClN2O4/c1-13(22-20(25)14-8-10-26-11-9-14)19(24)23-15-6-7-18(17(21)12-15)27-16-4-2-3-5-16/h6-7,12-14,16H,2-5,8-11H2,1H3,(H,22,25)(H,23,24)/t13-/m1/s1
InChIKeyRGASDIJHGZQXKA-CYBMUJFWSA-N
XLogP3.53
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.90
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(3-chloro-4-cyclopentyloxyphenyl)propanamide;hydrochloride
CID 119302889
N-[(2S)-1-(3-fluoro-4-methoxyanilino)-1-oxopropan-2-yl]oxane-4-carboxamide
CID 95175589
2-amino-N-(3-chloro-4-cyclopentyloxyphenyl)-3-methoxypropanamide;hydrochloride
CID 120987263
N-(3-chloro-4-methoxyphenyl)oxane-4-carboxamide
CID 31963649
N-[1-oxo-1-[4-(pyrrolidin-1-ylmethyl)anilino]propan-2-yl]oxane-4-carboxamide
CID 75462890
1-(3-chloro-4-cyclopentyloxyphenyl)-3-(1-methoxypropan-2-yl)urea
CID 60577123
N-[3-chloro-4-(oxan-4-yloxy)phenyl]prop-2-enamide
CID 150644180
N-(3-cyclopentyloxy-4-methoxyphenyl)oxolane-3-carboxamide
CID 51094450
(2S)-N-(3-chloro-4-cyclopentyloxyphenyl)-2-hydroxy-2-(1-methylpyrazol-4-yl)acetamide
CID 124877193
2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786697
N-[1-[4-(methanesulfonamido)-3-methoxyanilino]-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 47055132
N-(3-chloro-4-cyclopentyloxyphenyl)-6-oxopiperidine-3-carboxamide
CID 51092092

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(3-chloro-4-cyclopentyloxyanilino)-1-oxopropan-2-yl]oxane-4-carboxamide?
The IUPAC name of N-[(2R)-1-(3-chloro-4-cyclopentyloxyanilino)-1-oxopropan-2-yl]oxane-4-carboxamide (CID 95175612) is N-[(2R)-1-(3-chloro-4-cyclopentyloxyanilino)-1-oxopropan-2-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[(2R)-1-(3-chloro-4-cyclopentyloxyanilino)-1-oxopropan-2-yl]oxane-4-carboxamide?
The canonical SMILES for N-[(2R)-1-(3-chloro-4-cyclopentyloxyanilino)-1-oxopropan-2-yl]oxane-4-carboxamide is C[C@@H](NC(=O)C1CCOCC1)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1.
What is the InChIKey of N-[(2R)-1-(3-chloro-4-cyclopentyloxyanilino)-1-oxopropan-2-yl]oxane-4-carboxamide?
The InChIKey is RGASDIJHGZQXKA-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H27ClN2O4/c1-13(22-20(25)14-8-10-26-11-9-14)19(24)23-15-6-7-18(17(21)12-15)27-16-4-2-3-5-16/h6-7,12-14,16H,2-5,8-11H2,1H3,(H,22,25)(H,23,24)/t13-/m1/s1.
What are the key properties of N-[(2R)-1-(3-chloro-4-cyclopentyloxyanilino)-1-oxopropan-2-yl]oxane-4-carboxamide?
N-[(2R)-1-(3-chloro-4-cyclopentyloxyanilino)-1-oxopropan-2-yl]oxane-4-carboxamide has a molecular weight of 394.90 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(3-chloro-4-cyclopentyloxyanilino)-1-oxopropan-2-yl]oxane-4-carboxamide is sourced from PubChem (CID 95175612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).