N-benzyl-N-butan-2-yl-3-(propan-2-ylcarbamoylamino)benzamide

C22H29N3O2 — CID 56536452

IUPACN-benzyl-N-butan-2-yl-3-(propan-2-ylcarbamoylamino)benzamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)c1cccc(NC(=O)NC(C)C)c1
InChIInChI=1S/C22H29N3O2/c1-5-17(4)25(15-18-10-7-6-8-11-18)21(26)19-12-9-13-20(14-19)24-22(27)23-16(2)3/h6-14,16-17H,5,15H2,1-4H3,(H2,23,24,27)
InChIKeyKEMSMKMZAYLHKH-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.66
Rot. Bonds7

About N-benzyl-N-butan-2-yl-3-(propan-2-ylcarbamoylamino)benzamide

N-benzyl-N-butan-2-yl-3-(propan-2-ylcarbamoylamino)benzamide (PubChem CID 56536452) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-benzyl-N-butan-2-yl-3-(propan-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-benzyl-N-butan-2-yl-3-(propan-2-ylcarbamoylamino)benzamide
PubChem CID56536452
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-benzyl-N-butan-2-yl-3-(propan-2-ylcarbamoylamino)benzamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)c1cccc(NC(=O)NC(C)C)c1
InChIInChI=1S/C22H29N3O2/c1-5-17(4)25(15-18-10-7-6-8-11-18)21(26)19-12-9-13-20(14-19)24-22(27)23-16(2)3/h6-14,16-17H,5,15H2,1-4H3,(H2,23,24,27)
InChIKeyKEMSMKMZAYLHKH-UHFFFAOYSA-N
XLogP4.66
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-propan-2-yl-3-(propan-2-ylcarbamoylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 51123762
N-[(3-chlorophenyl)methyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide
CID 55648297
N-benzyl-N-butan-2-yl-3-(ethylsulfamoyl)benzamide
CID 56536496
2-[cyclopropyl-[3-(propan-2-ylcarbamoylamino)benzoyl]amino]acetic acid
CID 119194825
3-methyl-2-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]pentanoic acid
CID 119211691
1-ethyl-3-[3-(propan-2-ylcarbamoylamino)phenyl]urea
CID 47202672
N-benzyl-N-ethyl-3-(propanoylamino)benzamide
CID 17309573
benzyl(butan-2-yl)carbamic acid
CID 18954164
N-[3-(propanoylamino)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 38043079
N-(2-hydroxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 78869572
2-phenyl-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]propanoic acid
CID 119254635
N-methyl-3-(propan-2-ylcarbamoylamino)-N-(3,3,3-trifluoropropyl)benzamide
CID 86833634

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-butan-2-yl-3-(propan-2-ylcarbamoylamino)benzamide?
The IUPAC name of N-benzyl-N-butan-2-yl-3-(propan-2-ylcarbamoylamino)benzamide (CID 56536452) is N-benzyl-N-butan-2-yl-3-(propan-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-benzyl-N-butan-2-yl-3-(propan-2-ylcarbamoylamino)benzamide?
The canonical SMILES for N-benzyl-N-butan-2-yl-3-(propan-2-ylcarbamoylamino)benzamide is CCC(C)N(Cc1ccccc1)C(=O)c1cccc(NC(=O)NC(C)C)c1.
What is the InChIKey of N-benzyl-N-butan-2-yl-3-(propan-2-ylcarbamoylamino)benzamide?
The InChIKey is KEMSMKMZAYLHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-5-17(4)25(15-18-10-7-6-8-11-18)21(26)19-12-9-13-20(14-19)24-22(27)23-16(2)3/h6-14,16-17H,5,15H2,1-4H3,(H2,23,24,27).
What are the key properties of N-benzyl-N-butan-2-yl-3-(propan-2-ylcarbamoylamino)benzamide?
N-benzyl-N-butan-2-yl-3-(propan-2-ylcarbamoylamino)benzamide has a molecular weight of 367.49 g/mol, XLogP of 4.66, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-butan-2-yl-3-(propan-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 56536452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).