(3-phenylmethoxyphenyl)methyl N-[[4-(dimethylamino)benzoyl]amino]carbamate

C24H25N3O4 — CID 6733878

IUPAC(3-phenylmethoxyphenyl)methyl N-[[4-(dimethylamino)benzoyl]amino]carbamate
SMILESCN(C)c1ccc(C(=O)NNC(=O)OCc2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C24H25N3O4/c1-27(2)21-13-11-20(12-14-21)23(28)25-26-24(29)31-17-19-9-6-10-22(15-19)30-16-18-7-4-3-5-8-18/h3-15H,16-17H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyRXQUBJJYMVGYQZ-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.90
Rot. Bonds7

About (3-phenylmethoxyphenyl)methyl N-[[4-(dimethylamino)benzoyl]amino]carbamate

(3-phenylmethoxyphenyl)methyl N-[[4-(dimethylamino)benzoyl]amino]carbamate (PubChem CID 6733878) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is (3-phenylmethoxyphenyl)methyl N-[[4-(dimethylamino)benzoyl]amino]carbamate.

Molecular Properties

Compound Name(3-phenylmethoxyphenyl)methyl N-[[4-(dimethylamino)benzoyl]amino]carbamate
PubChem CID6733878
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name(3-phenylmethoxyphenyl)methyl N-[[4-(dimethylamino)benzoyl]amino]carbamate
SMILESCN(C)c1ccc(C(=O)NNC(=O)OCc2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C24H25N3O4/c1-27(2)21-13-11-20(12-14-21)23(28)25-26-24(29)31-17-19-9-6-10-22(15-19)30-16-18-7-4-3-5-8-18/h3-15H,16-17H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyRXQUBJJYMVGYQZ-UHFFFAOYSA-N
XLogP3.90
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(dimethylamino)phenyl]-3-phenylmethoxybenzamide
CID 23733067
benzyl N-benzamidocarbamate
CID 4935848
3-(dimethylamino)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 52685710
1-[3-[[4-(dimethylamino)phenyl]methoxy]phenyl]ethanone
CID 39205554
N,N-dimethyl-3-phenylmethoxybenzamide
CID 8778645
4-[[3-(2-aminoethyl)phenoxy]methyl]-N,N-dimethylaniline
CID 39205636
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenylmethoxybenzamide
CID 4932922
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-4-phenylmethoxybenzamide
CID 6234024
4-(dimethylsulfamoyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 52685715
methyl 4-[[(4-phenylmethoxybenzoyl)amino]carbamoyl]benzoate
CID 17178415
2-(4-phenylmethoxy-N-[4-[(3-phenylmethoxyphenyl)methoxy]benzoyl]anilino)acetic acid
CID 66912772
4-(2-phenoxyethoxy)-N-(3-phenylmethoxyphenyl)benzamide
CID 17086099

Frequently Asked Questions

What is the IUPAC name of (3-phenylmethoxyphenyl)methyl N-[[4-(dimethylamino)benzoyl]amino]carbamate?
The IUPAC name of (3-phenylmethoxyphenyl)methyl N-[[4-(dimethylamino)benzoyl]amino]carbamate (CID 6733878) is (3-phenylmethoxyphenyl)methyl N-[[4-(dimethylamino)benzoyl]amino]carbamate.
What is the SMILES notation for (3-phenylmethoxyphenyl)methyl N-[[4-(dimethylamino)benzoyl]amino]carbamate?
The canonical SMILES for (3-phenylmethoxyphenyl)methyl N-[[4-(dimethylamino)benzoyl]amino]carbamate is CN(C)c1ccc(C(=O)NNC(=O)OCc2cccc(OCc3ccccc3)c2)cc1.
What is the InChIKey of (3-phenylmethoxyphenyl)methyl N-[[4-(dimethylamino)benzoyl]amino]carbamate?
The InChIKey is RXQUBJJYMVGYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-27(2)21-13-11-20(12-14-21)23(28)25-26-24(29)31-17-19-9-6-10-22(15-19)30-16-18-7-4-3-5-8-18/h3-15H,16-17H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of (3-phenylmethoxyphenyl)methyl N-[[4-(dimethylamino)benzoyl]amino]carbamate?
(3-phenylmethoxyphenyl)methyl N-[[4-(dimethylamino)benzoyl]amino]carbamate has a molecular weight of 419.48 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenylmethoxyphenyl)methyl N-[[4-(dimethylamino)benzoyl]amino]carbamate is sourced from PubChem (CID 6733878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).