(2R)-N-(cyclopropylmethyl)-2-(4-methoxyphenyl)azepane-1-carboxamide

C18H26N2O2 — CID 94051830

IUPAC(2R)-N-(cyclopropylmethyl)-2-(4-methoxyphenyl)azepane-1-carboxamide
SMILESCOc1ccc([C@H]2CCCCCN2C(=O)NCC2CC2)cc1
InChIInChI=1S/C18H26N2O2/c1-22-16-10-8-15(9-11-16)17-5-3-2-4-12-20(17)18(21)19-13-14-6-7-14/h8-11,14,17H,2-7,12-13H2,1H3,(H,19,21)/t17-/m1/s1
InChIKeyQXPYGGYUUMZNAT-QGZVFWFLSA-N
MW302.42 g/mol
LogP3.73
Rot. Bonds4

About (2R)-N-(cyclopropylmethyl)-2-(4-methoxyphenyl)azepane-1-carboxamide

(2R)-N-(cyclopropylmethyl)-2-(4-methoxyphenyl)azepane-1-carboxamide (PubChem CID 94051830) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is (2R)-N-(cyclopropylmethyl)-2-(4-methoxyphenyl)azepane-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(cyclopropylmethyl)-2-(4-methoxyphenyl)azepane-1-carboxamide
PubChem CID94051830
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name(2R)-N-(cyclopropylmethyl)-2-(4-methoxyphenyl)azepane-1-carboxamide
SMILESCOc1ccc([C@H]2CCCCCN2C(=O)NCC2CC2)cc1
InChIInChI=1S/C18H26N2O2/c1-22-16-10-8-15(9-11-16)17-5-3-2-4-12-20(17)18(21)19-13-14-6-7-14/h8-11,14,17H,2-7,12-13H2,1H3,(H,19,21)/t17-/m1/s1
InChIKeyQXPYGGYUUMZNAT-QGZVFWFLSA-N
XLogP3.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 75415422
3-[[2-(4-methoxyphenyl)azepane-1-carbonyl]amino]propanoic acid
CID 122019457
(2R)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 94663416
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 60586835
(2R)-2-(4-methoxyphenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azepane-1-carboxamide
CID 97004854
3-cyclopentyl-1-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]propan-1-one
CID 95575791
methyl N-[3-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]-3-oxopropyl]carbamate
CID 95310586
(2S)-2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 94143800
2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 47173608
2-(4-methoxyphenyl)piperidine-1-carboxamide
CID 69349219
1-[2-(4-methoxyphenyl)azepan-1-yl]-4-(methylamino)butan-1-one
CID 119695939
(2R)-N-(2-methoxyphenyl)-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 41013165

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(cyclopropylmethyl)-2-(4-methoxyphenyl)azepane-1-carboxamide?
The IUPAC name of (2R)-N-(cyclopropylmethyl)-2-(4-methoxyphenyl)azepane-1-carboxamide (CID 94051830) is (2R)-N-(cyclopropylmethyl)-2-(4-methoxyphenyl)azepane-1-carboxamide.
What is the SMILES notation for (2R)-N-(cyclopropylmethyl)-2-(4-methoxyphenyl)azepane-1-carboxamide?
The canonical SMILES for (2R)-N-(cyclopropylmethyl)-2-(4-methoxyphenyl)azepane-1-carboxamide is COc1ccc([C@H]2CCCCCN2C(=O)NCC2CC2)cc1.
What is the InChIKey of (2R)-N-(cyclopropylmethyl)-2-(4-methoxyphenyl)azepane-1-carboxamide?
The InChIKey is QXPYGGYUUMZNAT-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-22-16-10-8-15(9-11-16)17-5-3-2-4-12-20(17)18(21)19-13-14-6-7-14/h8-11,14,17H,2-7,12-13H2,1H3,(H,19,21)/t17-/m1/s1.
What are the key properties of (2R)-N-(cyclopropylmethyl)-2-(4-methoxyphenyl)azepane-1-carboxamide?
(2R)-N-(cyclopropylmethyl)-2-(4-methoxyphenyl)azepane-1-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(cyclopropylmethyl)-2-(4-methoxyphenyl)azepane-1-carboxamide is sourced from PubChem (CID 94051830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).