N-(2-methylpropyl)-2-(morpholin-4-ylmethyl)azepane-1-carboxamide

C16H31N3O2 — CID 110196375

IUPACN-(2-methylpropyl)-2-(morpholin-4-ylmethyl)azepane-1-carboxamide
SMILESCC(C)CNC(=O)N1CCCCCC1CN1CCOCC1
InChIInChI=1S/C16H31N3O2/c1-14(2)12-17-16(20)19-7-5-3-4-6-15(19)13-18-8-10-21-11-9-18/h14-15H,3-13H2,1-2H3,(H,17,20)
InChIKeyXFDYUTITFMOGLJ-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.93
Rot. Bonds4

About N-(2-methylpropyl)-2-(morpholin-4-ylmethyl)azepane-1-carboxamide

N-(2-methylpropyl)-2-(morpholin-4-ylmethyl)azepane-1-carboxamide (PubChem CID 110196375) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(morpholin-4-ylmethyl)azepane-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(morpholin-4-ylmethyl)azepane-1-carboxamide
PubChem CID110196375
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC NameN-(2-methylpropyl)-2-(morpholin-4-ylmethyl)azepane-1-carboxamide
SMILESCC(C)CNC(=O)N1CCCCCC1CN1CCOCC1
InChIInChI=1S/C16H31N3O2/c1-14(2)12-17-16(20)19-7-5-3-4-6-15(19)13-18-8-10-21-11-9-18/h14-15H,3-13H2,1-2H3,(H,17,20)
InChIKeyXFDYUTITFMOGLJ-UHFFFAOYSA-N
XLogP1.93
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptylmorpholine-4-carboxamide
CID 669639
N-ethyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide
CID 110196376
2-(morpholin-4-ylmethyl)-N-propan-2-ylazepane-1-carboxamide
CID 110196377
2-(morpholin-4-ylmethyl)-N-propylazepane-1-carboxamide
CID 110196378
N-cyclopentyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide
CID 124042351
2-[(4-methoxypiperidin-1-yl)methyl]-N-propylazepane-1-carboxamide
CID 124042371
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,3-dimethylpiperidine-1-carboxamide
CID 75512356
1-[2-[(2S)-4-cycloheptylmorpholin-2-yl]ethyl]-3-ethylurea
CID 95198370
N-[(4S)-octan-4-yl]morpholine-4-carboxamide
CID 97591921
(2R)-N-cyclohexyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide
CID 164631827
(2R)-N-ethyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide
CID 164636175
(4S)-N-cyclohexyl-4-(morpholin-4-ylmethyl)azepane-1-carboxamide
CID 164638880

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(morpholin-4-ylmethyl)azepane-1-carboxamide?
The IUPAC name of N-(2-methylpropyl)-2-(morpholin-4-ylmethyl)azepane-1-carboxamide (CID 110196375) is N-(2-methylpropyl)-2-(morpholin-4-ylmethyl)azepane-1-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-2-(morpholin-4-ylmethyl)azepane-1-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-2-(morpholin-4-ylmethyl)azepane-1-carboxamide is CC(C)CNC(=O)N1CCCCCC1CN1CCOCC1.
What is the InChIKey of N-(2-methylpropyl)-2-(morpholin-4-ylmethyl)azepane-1-carboxamide?
The InChIKey is XFDYUTITFMOGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-14(2)12-17-16(20)19-7-5-3-4-6-15(19)13-18-8-10-21-11-9-18/h14-15H,3-13H2,1-2H3,(H,17,20).
What are the key properties of N-(2-methylpropyl)-2-(morpholin-4-ylmethyl)azepane-1-carboxamide?
N-(2-methylpropyl)-2-(morpholin-4-ylmethyl)azepane-1-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(morpholin-4-ylmethyl)azepane-1-carboxamide is sourced from PubChem (CID 110196375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).