4-[4-(aminomethyl)phenyl]-N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide

C27H30N4O4 — CID 90459335

IUPAC4-[4-(aminomethyl)phenyl]-N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccc(CN)cc3)cc2)cc1NC(=O)CN1CCOCC1
InChIInChI=1S/C27H30N4O4/c1-34-25-11-10-23(16-24(25)30-26(32)18-31-12-14-35-15-13-31)29-27(33)22-8-6-21(7-9-22)20-4-2-19(17-28)3-5-20/h2-11,16H,12-15,17-18,28H2,1H3,(H,29,33)(H,30,32)
InChIKeySOLLLHZXTLCNSS-UHFFFAOYSA-N
MW474.56 g/mol
LogP3.34
Rot. Bonds8

About 4-[4-(aminomethyl)phenyl]-N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide

4-[4-(aminomethyl)phenyl]-N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide (PubChem CID 90459335) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is 4-[4-(aminomethyl)phenyl]-N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name4-[4-(aminomethyl)phenyl]-N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
PubChem CID90459335
Molecular FormulaC27H30N4O4
Molecular Weight474.56 g/mol
Exact Mass474.23
IUPAC Name4-[4-(aminomethyl)phenyl]-N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccc(CN)cc3)cc2)cc1NC(=O)CN1CCOCC1
InChIInChI=1S/C27H30N4O4/c1-34-25-11-10-23(16-24(25)30-26(32)18-31-12-14-35-15-13-31)29-27(33)22-8-6-21(7-9-22)20-4-2-19(17-28)3-5-20/h2-11,16H,12-15,17-18,28H2,1H3,(H,29,33)(H,30,32)
InChIKeySOLLLHZXTLCNSS-UHFFFAOYSA-N
XLogP3.34
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[4-(aminomethyl)phenyl]-N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide with MolForge

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Related Compounds

tert-butyl-[4-[4-[[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]carbamoyl]phenyl]phenyl]carbamic acid
CID 118877629
6-(4-fluorophenyl)-N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]pyridine-3-carboxamide
CID 90464932
N-(5-ethyl-2-methoxyphenyl)-2-morpholin-4-ylacetamide
CID 154733696
N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 86294150
N-(3,4-dimethoxyphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 1099911
N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-6-thiophen-2-ylpyridine-3-carboxamide
CID 118393455
4-(3-methoxypropoxy)-3-[(2-morpholin-4-ylacetyl)amino]-N-(4-phenylphenyl)benzamide
CID 86298920
N-[5-[(2-chlorophenyl)carbamoylamino]-2-methoxyphenyl]-2-morpholin-4-ylacetamide
CID 3568292
4-ethyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 16612017
N-(2,5-dimethoxyphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 1106324
N-(5-acetamido-2-methoxyphenyl)-2-(azocan-1-yl)acetamide
CID 8680244
N-[3-methoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-(4-methoxyphenyl)-2-methylbenzamide
CID 155997760

Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)phenyl]-N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide?
The IUPAC name of 4-[4-(aminomethyl)phenyl]-N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide (CID 90459335) is 4-[4-(aminomethyl)phenyl]-N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide.
What is the SMILES notation for 4-[4-(aminomethyl)phenyl]-N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide?
The canonical SMILES for 4-[4-(aminomethyl)phenyl]-N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide is COc1ccc(NC(=O)c2ccc(-c3ccc(CN)cc3)cc2)cc1NC(=O)CN1CCOCC1.
What is the InChIKey of 4-[4-(aminomethyl)phenyl]-N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide?
The InChIKey is SOLLLHZXTLCNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4/c1-34-25-11-10-23(16-24(25)30-26(32)18-31-12-14-35-15-13-31)29-27(33)22-8-6-21(7-9-22)20-4-2-19(17-28)3-5-20/h2-11,16H,12-15,17-18,28H2,1H3,(H,29,33)(H,30,32).
What are the key properties of 4-[4-(aminomethyl)phenyl]-N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide?
4-[4-(aminomethyl)phenyl]-N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide has a molecular weight of 474.56 g/mol, XLogP of 3.34, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)phenyl]-N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide is sourced from PubChem (CID 90459335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).