(2R)-N-[3-[(2R)-2-(3-methylphenyl)azepane-1-carbonyl]phenyl]oxolane-2-carboxamide

C25H30N2O3 — CID 99808923

IUPAC(2R)-N-[3-[(2R)-2-(3-methylphenyl)azepane-1-carbonyl]phenyl]oxolane-2-carboxamide
SMILESCc1cccc([C@H]2CCCCCN2C(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)c1
InChIInChI=1S/C25H30N2O3/c1-18-8-5-9-19(16-18)22-12-3-2-4-14-27(22)25(29)20-10-6-11-21(17-20)26-24(28)23-13-7-15-30-23/h5-6,8-11,16-17,22-23H,2-4,7,12-15H2,1H3,(H,26,28)/t22-,23-/m1/s1
InChIKeyJRZNROIBPINRIP-DHIUTWEWSA-N
MW406.53 g/mol
LogP4.87
Rot. Bonds4

About (2R)-N-[3-[(2R)-2-(3-methylphenyl)azepane-1-carbonyl]phenyl]oxolane-2-carboxamide

(2R)-N-[3-[(2R)-2-(3-methylphenyl)azepane-1-carbonyl]phenyl]oxolane-2-carboxamide (PubChem CID 99808923) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is (2R)-N-[3-[(2R)-2-(3-methylphenyl)azepane-1-carbonyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-[(2R)-2-(3-methylphenyl)azepane-1-carbonyl]phenyl]oxolane-2-carboxamide
PubChem CID99808923
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name(2R)-N-[3-[(2R)-2-(3-methylphenyl)azepane-1-carbonyl]phenyl]oxolane-2-carboxamide
SMILESCc1cccc([C@H]2CCCCCN2C(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)c1
InChIInChI=1S/C25H30N2O3/c1-18-8-5-9-19(16-18)22-12-3-2-4-14-27(22)25(29)20-10-6-11-21(17-20)26-24(28)23-13-7-15-30-23/h5-6,8-11,16-17,22-23H,2-4,7,12-15H2,1H3,(H,26,28)/t22-,23-/m1/s1
InChIKeyJRZNROIBPINRIP-DHIUTWEWSA-N
XLogP4.87
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[3-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 33080992
N-[3-[4-(3-methylbenzoyl)-1,4-diazepane-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 42949468
(2R)-N-[3-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 34230461
(2R)-N-[3-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 94637367
(2S)-N-[3-[(2S)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 51938598
(2S)-N-[3-[(2R)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 51938596
N-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 119651940
(2S)-N-[3-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 36550487
(2R)-N-[3-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 36550493
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
[(2R)-1,4-dioxan-2-yl]-[(2R)-2-(3-methylphenyl)azepan-1-yl]methanone
CID 95629661
N-[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 45179359

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-[(2R)-2-(3-methylphenyl)azepane-1-carbonyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[3-[(2R)-2-(3-methylphenyl)azepane-1-carbonyl]phenyl]oxolane-2-carboxamide (CID 99808923) is (2R)-N-[3-[(2R)-2-(3-methylphenyl)azepane-1-carbonyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-[(2R)-2-(3-methylphenyl)azepane-1-carbonyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[3-[(2R)-2-(3-methylphenyl)azepane-1-carbonyl]phenyl]oxolane-2-carboxamide is Cc1cccc([C@H]2CCCCCN2C(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)c1.
What is the InChIKey of (2R)-N-[3-[(2R)-2-(3-methylphenyl)azepane-1-carbonyl]phenyl]oxolane-2-carboxamide?
The InChIKey is JRZNROIBPINRIP-DHIUTWEWSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-18-8-5-9-19(16-18)22-12-3-2-4-14-27(22)25(29)20-10-6-11-21(17-20)26-24(28)23-13-7-15-30-23/h5-6,8-11,16-17,22-23H,2-4,7,12-15H2,1H3,(H,26,28)/t22-,23-/m1/s1.
What are the key properties of (2R)-N-[3-[(2R)-2-(3-methylphenyl)azepane-1-carbonyl]phenyl]oxolane-2-carboxamide?
(2R)-N-[3-[(2R)-2-(3-methylphenyl)azepane-1-carbonyl]phenyl]oxolane-2-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-[(2R)-2-(3-methylphenyl)azepane-1-carbonyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 99808923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).