N-[3-[[(2-aminocyclohexyl)-(4-methoxybenzoyl)amino]methyl]-4-chlorophenyl]morpholine-4-carboxamide

C26H33ClN4O4 — CID 23856210

IUPACN-[3-[[(2-aminocyclohexyl)-(4-methoxybenzoyl)amino]methyl]-4-chlorophenyl]morpholine-4-carboxamide
SMILESCOc1ccc(C(=O)N(Cc2cc(NC(=O)N3CCOCC3)ccc2Cl)C2CCCCC2N)cc1
InChIInChI=1S/C26H33ClN4O4/c1-34-21-9-6-18(7-10-21)25(32)31(24-5-3-2-4-23(24)28)17-19-16-20(8-11-22(19)27)29-26(33)30-12-14-35-15-13-30/h6-11,16,23-24H,2-5,12-15,17,28H2,1H3,(H,29,33)
InChIKeyNRLJESFKUJOFLA-UHFFFAOYSA-N
MW501.03 g/mol
LogP4.12
Rot. Bonds6

About N-[3-[[(2-aminocyclohexyl)-(4-methoxybenzoyl)amino]methyl]-4-chlorophenyl]morpholine-4-carboxamide

N-[3-[[(2-aminocyclohexyl)-(4-methoxybenzoyl)amino]methyl]-4-chlorophenyl]morpholine-4-carboxamide (PubChem CID 23856210) has the molecular formula C26H33ClN4O4 and a molecular weight of 501.03 g/mol. Its IUPAC name is N-[3-[[(2-aminocyclohexyl)-(4-methoxybenzoyl)amino]methyl]-4-chlorophenyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[[(2-aminocyclohexyl)-(4-methoxybenzoyl)amino]methyl]-4-chlorophenyl]morpholine-4-carboxamide
PubChem CID23856210
Molecular FormulaC26H33ClN4O4
Molecular Weight501.03 g/mol
Exact Mass500.22
IUPAC NameN-[3-[[(2-aminocyclohexyl)-(4-methoxybenzoyl)amino]methyl]-4-chlorophenyl]morpholine-4-carboxamide
SMILESCOc1ccc(C(=O)N(Cc2cc(NC(=O)N3CCOCC3)ccc2Cl)C2CCCCC2N)cc1
InChIInChI=1S/C26H33ClN4O4/c1-34-21-9-6-18(7-10-21)25(32)31(24-5-3-2-4-23(24)28)17-19-16-20(8-11-22(19)27)29-26(33)30-12-14-35-15-13-30/h6-11,16,23-24H,2-5,12-15,17,28H2,1H3,(H,29,33)
InChIKeyNRLJESFKUJOFLA-UHFFFAOYSA-N
XLogP4.12
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.03
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminocyclohexyl)-N-[[2-chloro-5-(cyclopentanecarbonylamino)phenyl]methyl]-4-cyanobenzamide
CID 23879579
N-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]cyclopropanecarboxamide
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N-(2-chloro-5-methoxyphenyl)morpholine-4-carboxamide
CID 47421313
N-[4-chloro-3-(morpholin-4-ylmethyl)phenyl]-4-(4-methoxyphenoxy)butanamide
CID 100651350
N-(4-chloro-3-fluorophenyl)morpholine-4-carboxamide
CID 47223545
ethyl 1-[(4-methoxyphenyl)carbamoyl]-4-(oxan-2-ylmethyl)piperidine-4-carboxylate
CID 45200318
N-(3-chloro-4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanamide
CID 108943532
N-(4-methoxy-3-methylphenyl)morpholine-4-carboxamide
CID 47322511
N-(3-benzyl-4-methoxyphenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide
CID 112825312
N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide
CID 669628
N-(4-chlorophenyl)morpholine-4-carboxamide;methyl 4-(bromomethyl)-3-fluorobenzoate;methyl 4-[[4-chloro-N-(morpholine-4-carbonyl)anilino]methyl]-3-fluorobenzoate
CID 162000401
N-cyclopropyl-4-methoxy-N-[2-[[4-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 1031044

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2-aminocyclohexyl)-(4-methoxybenzoyl)amino]methyl]-4-chlorophenyl]morpholine-4-carboxamide?
The IUPAC name of N-[3-[[(2-aminocyclohexyl)-(4-methoxybenzoyl)amino]methyl]-4-chlorophenyl]morpholine-4-carboxamide (CID 23856210) is N-[3-[[(2-aminocyclohexyl)-(4-methoxybenzoyl)amino]methyl]-4-chlorophenyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[3-[[(2-aminocyclohexyl)-(4-methoxybenzoyl)amino]methyl]-4-chlorophenyl]morpholine-4-carboxamide?
The canonical SMILES for N-[3-[[(2-aminocyclohexyl)-(4-methoxybenzoyl)amino]methyl]-4-chlorophenyl]morpholine-4-carboxamide is COc1ccc(C(=O)N(Cc2cc(NC(=O)N3CCOCC3)ccc2Cl)C2CCCCC2N)cc1.
What is the InChIKey of N-[3-[[(2-aminocyclohexyl)-(4-methoxybenzoyl)amino]methyl]-4-chlorophenyl]morpholine-4-carboxamide?
The InChIKey is NRLJESFKUJOFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33ClN4O4/c1-34-21-9-6-18(7-10-21)25(32)31(24-5-3-2-4-23(24)28)17-19-16-20(8-11-22(19)27)29-26(33)30-12-14-35-15-13-30/h6-11,16,23-24H,2-5,12-15,17,28H2,1H3,(H,29,33).
What are the key properties of N-[3-[[(2-aminocyclohexyl)-(4-methoxybenzoyl)amino]methyl]-4-chlorophenyl]morpholine-4-carboxamide?
N-[3-[[(2-aminocyclohexyl)-(4-methoxybenzoyl)amino]methyl]-4-chlorophenyl]morpholine-4-carboxamide has a molecular weight of 501.03 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2-aminocyclohexyl)-(4-methoxybenzoyl)amino]methyl]-4-chlorophenyl]morpholine-4-carboxamide is sourced from PubChem (CID 23856210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).