N-[[2-(azepan-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide

C19H29N3O2 — CID 119869679

IUPACN-[[2-(azepan-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide
SMILESO=C(NCc1ccccc1CN1CCCCCC1)C1CNCCO1
InChIInChI=1S/C19H29N3O2/c23-19(18-14-20-9-12-24-18)21-13-16-7-3-4-8-17(16)15-22-10-5-1-2-6-11-22/h3-4,7-8,18,20H,1-2,5-6,9-15H2,(H,21,23)
InChIKeyFUMLZMSNSIKMEE-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.67
Rot. Bonds5

About N-[[2-(azepan-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide

N-[[2-(azepan-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide (PubChem CID 119869679) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[[2-(azepan-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(azepan-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide
PubChem CID119869679
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-[[2-(azepan-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide
SMILESO=C(NCc1ccccc1CN1CCCCCC1)C1CNCCO1
InChIInChI=1S/C19H29N3O2/c23-19(18-14-20-9-12-24-18)21-13-16-7-3-4-8-17(16)15-22-10-5-1-2-6-11-22/h3-4,7-8,18,20H,1-2,5-6,9-15H2,(H,21,23)
InChIKeyFUMLZMSNSIKMEE-UHFFFAOYSA-N
XLogP1.67
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]morpholine-2-carboxamide
CID 124704379
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide
CID 119867295
N-[(2-ethylphenyl)methyl]morpholine-2-carboxamide
CID 64682849
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119836564
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 119836618
N-[[2-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]morpholine-2-carboxamide
CID 119888627
N-[(2-propan-2-yloxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119707554
(2S,5R)-5-(aminomethyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]oxolane-2-carboxamide
CID 120797326
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxamide
CID 119895713
N-(5-piperidin-1-ylpentyl)morpholine-2-carboxamide;dihydrochloride
CID 119885469
(2S,5R)-5-(aminomethyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]oxolane-2-carboxamide
CID 120797320
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]morpholine-2-carboxamide
CID 119698864

Frequently Asked Questions

What is the IUPAC name of N-[[2-(azepan-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide?
The IUPAC name of N-[[2-(azepan-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide (CID 119869679) is N-[[2-(azepan-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[[2-(azepan-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide?
The canonical SMILES for N-[[2-(azepan-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide is O=C(NCc1ccccc1CN1CCCCCC1)C1CNCCO1.
What is the InChIKey of N-[[2-(azepan-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide?
The InChIKey is FUMLZMSNSIKMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c23-19(18-14-20-9-12-24-18)21-13-16-7-3-4-8-17(16)15-22-10-5-1-2-6-11-22/h3-4,7-8,18,20H,1-2,5-6,9-15H2,(H,21,23).
What are the key properties of N-[[2-(azepan-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide?
N-[[2-(azepan-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(azepan-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide is sourced from PubChem (CID 119869679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).