N-tert-butyl-4-[[methyl(3-phenylpropyl)carbamoyl]amino]benzamide

C22H29N3O2 — CID 55702135

IUPACN-tert-butyl-4-[[methyl(3-phenylpropyl)carbamoyl]amino]benzamide
SMILESCN(CCCc1ccccc1)C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C22H29N3O2/c1-22(2,3)24-20(26)18-12-14-19(15-13-18)23-21(27)25(4)16-8-11-17-9-6-5-7-10-17/h5-7,9-10,12-15H,8,11,16H2,1-4H3,(H,23,27)(H,24,26)
InChIKeyMLOJOYUWZCPXLX-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.31
Rot. Bonds6

About N-tert-butyl-4-[[methyl(3-phenylpropyl)carbamoyl]amino]benzamide

N-tert-butyl-4-[[methyl(3-phenylpropyl)carbamoyl]amino]benzamide (PubChem CID 55702135) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-tert-butyl-4-[[methyl(3-phenylpropyl)carbamoyl]amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-[[methyl(3-phenylpropyl)carbamoyl]amino]benzamide
PubChem CID55702135
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-tert-butyl-4-[[methyl(3-phenylpropyl)carbamoyl]amino]benzamide
SMILESCN(CCCc1ccccc1)C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C22H29N3O2/c1-22(2,3)24-20(26)18-12-14-19(15-13-18)23-21(27)25(4)16-8-11-17-9-6-5-7-10-17/h5-7,9-10,12-15H,8,11,16H2,1-4H3,(H,23,27)(H,24,26)
InChIKeyMLOJOYUWZCPXLX-UHFFFAOYSA-N
XLogP4.31
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-[[methyl(3-phenylpropyl)carbamoyl]amino]benzoate
CID 47039832
4-N-tert-butyl-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 48846619
3-phenylpropyl 4-[4-(tert-butylcarbamoyl)anilino]-4-oxobutanoate
CID 17199503
4-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54835092
3-(4-iodophenyl)-1-methyl-1-(2-phenylethyl)urea
CID 47258233
N-benzyl-3-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 54842043
4-N-tert-butyl-1-N-[4-(dimethylamino)phenyl]benzene-1,4-dicarboxamide
CID 109048526
1-(3-bromopropyl)-1-methyl-3-phenylurea
CID 106441527
3-(4-tert-butylphenyl)-1-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]urea
CID 72909535
N-tert-butyl-4-[[methyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]benzamide
CID 94818819
4-N-tert-butyl-1-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide
CID 109048527
N-tert-butyl-4-(prop-2-enylcarbamothioylamino)benzamide
CID 26169537

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[[methyl(3-phenylpropyl)carbamoyl]amino]benzamide?
The IUPAC name of N-tert-butyl-4-[[methyl(3-phenylpropyl)carbamoyl]amino]benzamide (CID 55702135) is N-tert-butyl-4-[[methyl(3-phenylpropyl)carbamoyl]amino]benzamide.
What is the SMILES notation for N-tert-butyl-4-[[methyl(3-phenylpropyl)carbamoyl]amino]benzamide?
The canonical SMILES for N-tert-butyl-4-[[methyl(3-phenylpropyl)carbamoyl]amino]benzamide is CN(CCCc1ccccc1)C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-4-[[methyl(3-phenylpropyl)carbamoyl]amino]benzamide?
The InChIKey is MLOJOYUWZCPXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-22(2,3)24-20(26)18-12-14-19(15-13-18)23-21(27)25(4)16-8-11-17-9-6-5-7-10-17/h5-7,9-10,12-15H,8,11,16H2,1-4H3,(H,23,27)(H,24,26).
What are the key properties of N-tert-butyl-4-[[methyl(3-phenylpropyl)carbamoyl]amino]benzamide?
N-tert-butyl-4-[[methyl(3-phenylpropyl)carbamoyl]amino]benzamide has a molecular weight of 367.49 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[[methyl(3-phenylpropyl)carbamoyl]amino]benzamide is sourced from PubChem (CID 55702135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).