N-[4-(azepane-1-carbonylamino)phenyl]morpholine-3-carboxamide

C18H26N4O3 — CID 119761499

IUPACN-[4-(azepane-1-carbonylamino)phenyl]morpholine-3-carboxamide
SMILESO=C(Nc1ccc(NC(=O)N2CCCCCC2)cc1)C1COCCN1
InChIInChI=1S/C18H26N4O3/c23-17(16-13-25-12-9-19-16)20-14-5-7-15(8-6-14)21-18(24)22-10-3-1-2-4-11-22/h5-8,16,19H,1-4,9-13H2,(H,20,23)(H,21,24)
InChIKeyTVTKXJFSKMBQDA-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.02
Rot. Bonds3

About N-[4-(azepane-1-carbonylamino)phenyl]morpholine-3-carboxamide

N-[4-(azepane-1-carbonylamino)phenyl]morpholine-3-carboxamide (PubChem CID 119761499) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[4-(azepane-1-carbonylamino)phenyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(azepane-1-carbonylamino)phenyl]morpholine-3-carboxamide
PubChem CID119761499
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN-[4-(azepane-1-carbonylamino)phenyl]morpholine-3-carboxamide
SMILESO=C(Nc1ccc(NC(=O)N2CCCCCC2)cc1)C1COCCN1
InChIInChI=1S/C18H26N4O3/c23-17(16-13-25-12-9-19-16)20-14-5-7-15(8-6-14)21-18(24)22-10-3-1-2-4-11-22/h5-8,16,19H,1-4,9-13H2,(H,20,23)(H,21,24)
InChIKeyTVTKXJFSKMBQDA-UHFFFAOYSA-N
XLogP2.02
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(azepan-1-ylmethyl)phenyl]morpholine-3-carboxamide;dihydrochloride
CID 119867908
N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]morpholine-3-carboxamide
CID 119712459
N-[4-(2-methylpropanoylamino)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119685241
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]morpholine-3-carboxamide
CID 119675117
N-[4-(cyclopropylcarbamoylamino)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119702443
N-(4-phenoxyphenyl)morpholine-3-carboxamide;hydrochloride
CID 75422319
N-[4-(2-methylpropyl)phenyl]morpholine-3-carboxamide
CID 115177537
N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119713835
N-(3,4-dimethylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670622
N-[4-(propylsulfonylamino)phenyl]morpholine-3-carboxamide
CID 119754209
N-(6-bromo-3-pyridinyl)morpholine-3-carboxamide
CID 103813891
N-[3-(cyclopropanecarbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119710451

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepane-1-carbonylamino)phenyl]morpholine-3-carboxamide?
The IUPAC name of N-[4-(azepane-1-carbonylamino)phenyl]morpholine-3-carboxamide (CID 119761499) is N-[4-(azepane-1-carbonylamino)phenyl]morpholine-3-carboxamide.
What is the SMILES notation for N-[4-(azepane-1-carbonylamino)phenyl]morpholine-3-carboxamide?
The canonical SMILES for N-[4-(azepane-1-carbonylamino)phenyl]morpholine-3-carboxamide is O=C(Nc1ccc(NC(=O)N2CCCCCC2)cc1)C1COCCN1.
What is the InChIKey of N-[4-(azepane-1-carbonylamino)phenyl]morpholine-3-carboxamide?
The InChIKey is TVTKXJFSKMBQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c23-17(16-13-25-12-9-19-16)20-14-5-7-15(8-6-14)21-18(24)22-10-3-1-2-4-11-22/h5-8,16,19H,1-4,9-13H2,(H,20,23)(H,21,24).
What are the key properties of N-[4-(azepane-1-carbonylamino)phenyl]morpholine-3-carboxamide?
N-[4-(azepane-1-carbonylamino)phenyl]morpholine-3-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 2.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepane-1-carbonylamino)phenyl]morpholine-3-carboxamide is sourced from PubChem (CID 119761499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).