N-[(3-methoxyphenyl)methyl]-N-methyl-4-(propan-2-ylcarbamoylamino)benzamide

C20H25N3O3 — CID 55821646

IUPACN-[(3-methoxyphenyl)methyl]-N-methyl-4-(propan-2-ylcarbamoylamino)benzamide
SMILESCOc1cccc(CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2)c1
InChIInChI=1S/C20H25N3O3/c1-14(2)21-20(25)22-17-10-8-16(9-11-17)19(24)23(3)13-15-6-5-7-18(12-15)26-4/h5-12,14H,13H2,1-4H3,(H2,21,22,25)
InChIKeyDKRRFSFWNUEZEJ-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.50
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-N-methyl-4-(propan-2-ylcarbamoylamino)benzamide

N-[(3-methoxyphenyl)methyl]-N-methyl-4-(propan-2-ylcarbamoylamino)benzamide (PubChem CID 55821646) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-N-methyl-4-(propan-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-N-methyl-4-(propan-2-ylcarbamoylamino)benzamide
PubChem CID55821646
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[(3-methoxyphenyl)methyl]-N-methyl-4-(propan-2-ylcarbamoylamino)benzamide
SMILESCOc1cccc(CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2)c1
InChIInChI=1S/C20H25N3O3/c1-14(2)21-20(25)22-17-10-8-16(9-11-17)19(24)23(3)13-15-6-5-7-18(12-15)26-4/h5-12,14H,13H2,1-4H3,(H2,21,22,25)
InChIKeyDKRRFSFWNUEZEJ-UHFFFAOYSA-N
XLogP3.50
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-N-methyl-4-(propan-2-ylcarbamoylamino)benzamide
CID 78894069
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
N-[(3-chlorophenyl)methyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide
CID 55648297
1-[(3-methoxyphenyl)methyl]-1-methyl-3-[3-(phenylcarbamoylamino)phenyl]urea
CID 55698533
4-(2-amino-2-oxoethoxy)-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 166194594
4-[(3-methoxyphenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180581
4-[[(2S)-2-[(3-methoxyphenyl)methyl-methylamino]propanoyl]amino]benzamide
CID 8514410
3-chloro-4-iodo-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 103221595
1-(4-methoxyphenyl)-3-propan-2-ylurea
CID 4616042
3-amino-4-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 61115963
2-[3-[[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]methyl]phenoxy]acetic acid
CID 119246830
(2R)-2-[[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]-3-methylbutanoic acid
CID 79009414

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methyl-4-(propan-2-ylcarbamoylamino)benzamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methyl-4-(propan-2-ylcarbamoylamino)benzamide (CID 55821646) is N-[(3-methoxyphenyl)methyl]-N-methyl-4-(propan-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-N-methyl-4-(propan-2-ylcarbamoylamino)benzamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-N-methyl-4-(propan-2-ylcarbamoylamino)benzamide is COc1cccc(CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-N-methyl-4-(propan-2-ylcarbamoylamino)benzamide?
The InChIKey is DKRRFSFWNUEZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14(2)21-20(25)22-17-10-8-16(9-11-17)19(24)23(3)13-15-6-5-7-18(12-15)26-4/h5-12,14H,13H2,1-4H3,(H2,21,22,25).
What are the key properties of N-[(3-methoxyphenyl)methyl]-N-methyl-4-(propan-2-ylcarbamoylamino)benzamide?
N-[(3-methoxyphenyl)methyl]-N-methyl-4-(propan-2-ylcarbamoylamino)benzamide has a molecular weight of 355.44 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-N-methyl-4-(propan-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 55821646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).