3-(dimethylamino)-N-[3-[[3-[3-(dimethylamino)-2-hydroxypropoxy]benzoyl]amino]-4-methylphenyl]benzamide

C28H34N4O4 — CID 22291123

IUPAC3-(dimethylamino)-N-[3-[[3-[3-(dimethylamino)-2-hydroxypropoxy]benzoyl]amino]-4-methylphenyl]benzamide
SMILESCc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1NC(=O)c1cccc(OCC(O)CN(C)C)c1
InChIInChI=1S/C28H34N4O4/c1-19-12-13-22(29-27(34)20-8-6-10-23(14-20)32(4)5)16-26(19)30-28(35)21-9-7-11-25(15-21)36-18-24(33)17-31(2)3/h6-16,24,33H,17-18H2,1-5H3,(H,29,34)(H,30,35)
InChIKeyDQUSWFNNDDZZFG-UHFFFAOYSA-N
MW490.60 g/mol
LogP3.87
Rot. Bonds10

About 3-(dimethylamino)-N-[3-[[3-[3-(dimethylamino)-2-hydroxypropoxy]benzoyl]amino]-4-methylphenyl]benzamide

3-(dimethylamino)-N-[3-[[3-[3-(dimethylamino)-2-hydroxypropoxy]benzoyl]amino]-4-methylphenyl]benzamide (PubChem CID 22291123) has the molecular formula C28H34N4O4 and a molecular weight of 490.60 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[3-[[3-[3-(dimethylamino)-2-hydroxypropoxy]benzoyl]amino]-4-methylphenyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[3-[[3-[3-(dimethylamino)-2-hydroxypropoxy]benzoyl]amino]-4-methylphenyl]benzamide
PubChem CID22291123
Molecular FormulaC28H34N4O4
Molecular Weight490.60 g/mol
Exact Mass490.26
IUPAC Name3-(dimethylamino)-N-[3-[[3-[3-(dimethylamino)-2-hydroxypropoxy]benzoyl]amino]-4-methylphenyl]benzamide
SMILESCc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1NC(=O)c1cccc(OCC(O)CN(C)C)c1
InChIInChI=1S/C28H34N4O4/c1-19-12-13-22(29-27(34)20-8-6-10-23(14-20)32(4)5)16-26(19)30-28(35)21-9-7-11-25(15-21)36-18-24(33)17-31(2)3/h6-16,24,33H,17-18H2,1-5H3,(H,29,34)(H,30,35)
InChIKeyDQUSWFNNDDZZFG-UHFFFAOYSA-N
XLogP3.87
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.60
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-2-fluorobenzamide
CID 22291047
3-(dimethylamino)-N-[3-[[4-[3-(dimethylamino)propyl-methylamino]benzoyl]amino]-4-methylphenyl]benzamide
CID 54439190
N-(5-acetamido-2-methylphenyl)-3-ethoxybenzamide
CID 108788826
N-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-3-(methanesulfonamido)benzamide
CID 22291070
3-ethoxy-N-[4-methyl-3-(propanoylamino)phenyl]benzamide
CID 46761087
3-(dimethylamino)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 46437083
N-(5-acetamido-2-methylphenyl)-3-(difluoromethoxy)benzamide
CID 46454255
2-[3-[[3-[(3,4-dimethoxybenzoyl)amino]-4-methylphenyl]carbamoyl]phenoxy]acetic acid
CID 22291006
N-(5-amino-2-methylphenyl)-3-(2-methylpropoxy)benzamide;hydrochloride
CID 120568798
3-(dimethylamino)-N-(4-methoxy-3-methylphenyl)benzamide
CID 87032363
3-(dimethylamino)-N-(4-methylphenyl)benzamide
CID 7899886
3-(dimethylamino)-N-[3-[[(4-hydroxyphenyl)-phenylmethyl]amino]-4-methylphenyl]benzamide
CID 150182067

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[3-[[3-[3-(dimethylamino)-2-hydroxypropoxy]benzoyl]amino]-4-methylphenyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[3-[[3-[3-(dimethylamino)-2-hydroxypropoxy]benzoyl]amino]-4-methylphenyl]benzamide (CID 22291123) is 3-(dimethylamino)-N-[3-[[3-[3-(dimethylamino)-2-hydroxypropoxy]benzoyl]amino]-4-methylphenyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[3-[[3-[3-(dimethylamino)-2-hydroxypropoxy]benzoyl]amino]-4-methylphenyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[3-[[3-[3-(dimethylamino)-2-hydroxypropoxy]benzoyl]amino]-4-methylphenyl]benzamide is Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1NC(=O)c1cccc(OCC(O)CN(C)C)c1.
What is the InChIKey of 3-(dimethylamino)-N-[3-[[3-[3-(dimethylamino)-2-hydroxypropoxy]benzoyl]amino]-4-methylphenyl]benzamide?
The InChIKey is DQUSWFNNDDZZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O4/c1-19-12-13-22(29-27(34)20-8-6-10-23(14-20)32(4)5)16-26(19)30-28(35)21-9-7-11-25(15-21)36-18-24(33)17-31(2)3/h6-16,24,33H,17-18H2,1-5H3,(H,29,34)(H,30,35).
What are the key properties of 3-(dimethylamino)-N-[3-[[3-[3-(dimethylamino)-2-hydroxypropoxy]benzoyl]amino]-4-methylphenyl]benzamide?
3-(dimethylamino)-N-[3-[[3-[3-(dimethylamino)-2-hydroxypropoxy]benzoyl]amino]-4-methylphenyl]benzamide has a molecular weight of 490.60 g/mol, XLogP of 3.87, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[3-[[3-[3-(dimethylamino)-2-hydroxypropoxy]benzoyl]amino]-4-methylphenyl]benzamide is sourced from PubChem (CID 22291123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).