N-cycloheptyl-4-(morpholin-4-ylmethyl)benzamide

C19H28N2O2 — CID 887036

IUPACN-cycloheptyl-4-(morpholin-4-ylmethyl)benzamide
SMILESO=C(NC1CCCCCC1)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C19H28N2O2/c22-19(20-18-5-3-1-2-4-6-18)17-9-7-16(8-10-17)15-21-11-13-23-14-12-21/h7-10,18H,1-6,11-15H2,(H,20,22)
InChIKeyNKIBRODZYJMNDK-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.97
Rot. Bonds4

About N-cycloheptyl-4-(morpholin-4-ylmethyl)benzamide

N-cycloheptyl-4-(morpholin-4-ylmethyl)benzamide (PubChem CID 887036) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is N-cycloheptyl-4-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-cycloheptyl-4-(morpholin-4-ylmethyl)benzamide
PubChem CID887036
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC NameN-cycloheptyl-4-(morpholin-4-ylmethyl)benzamide
SMILESO=C(NC1CCCCCC1)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C19H28N2O2/c22-19(20-18-5-3-1-2-4-6-18)17-9-7-16(8-10-17)15-21-11-13-23-14-12-21/h7-10,18H,1-6,11-15H2,(H,20,22)
InChIKeyNKIBRODZYJMNDK-UHFFFAOYSA-N
XLogP2.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Bavisant
CID 16061509
AR-M1000390
CID 9841259
Benzamide, 4-(1,1-dimethylethyl)-N-(2-(4-morpholinyl)ethyl)-
CID 690446
N-(1-(Phenylmethyl)-4-piperidinyl)benzamide
CID 40598
4-Formyl-N-(1-methylethyl)benzamide
CID 83270
N-Benzoylmorpholine
CID 15114
Benzamide, 4-fluoro-N-(2-(4-morpholinyl)ethyl)-
CID 835134
N-4-Piperidylbenzamide
CID 118120
N-(2,2,6,6-Tetramethyl-piperidin-4-yl)-benzamide
CID 775004
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-formylbenzamide hydrochloride
CID 14783873
4-[(R)-(S)-8-Aza-bicyclo[3.2.1]oct-(3Z)-ylidene-phenyl-methyl]-N,N-diethyl-benzamide
CID 9820950
4-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 877392

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-(morpholin-4-ylmethyl)benzamide?
The IUPAC name of N-cycloheptyl-4-(morpholin-4-ylmethyl)benzamide (CID 887036) is N-cycloheptyl-4-(morpholin-4-ylmethyl)benzamide.
What is the SMILES notation for N-cycloheptyl-4-(morpholin-4-ylmethyl)benzamide?
The canonical SMILES for N-cycloheptyl-4-(morpholin-4-ylmethyl)benzamide is O=C(NC1CCCCCC1)c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of N-cycloheptyl-4-(morpholin-4-ylmethyl)benzamide?
The InChIKey is NKIBRODZYJMNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c22-19(20-18-5-3-1-2-4-6-18)17-9-7-16(8-10-17)15-21-11-13-23-14-12-21/h7-10,18H,1-6,11-15H2,(H,20,22).
What are the key properties of N-cycloheptyl-4-(morpholin-4-ylmethyl)benzamide?
N-cycloheptyl-4-(morpholin-4-ylmethyl)benzamide has a molecular weight of 316.44 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 887036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).