N-[4-[(2S)-butan-2-yl]phenyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide

C22H29N3O2 — CID 9270671

IUPACN-[4-[(2S)-butan-2-yl]phenyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
SMILESCC[C@H](C)c1ccc(NC(=O)c2ccc(CNC(=O)NC(C)C)cc2)cc1
InChIInChI=1S/C22H29N3O2/c1-5-16(4)18-10-12-20(13-11-18)25-21(26)19-8-6-17(7-9-19)14-23-22(27)24-15(2)3/h6-13,15-16H,5,14H2,1-4H3,(H,25,26)(H2,23,24,27)/t16-/m0/s1
InChIKeyYZOJUPZGNLERDR-INIZCTEOSA-N
MW367.49 g/mol
LogP4.66
Rot. Bonds7

About N-[4-[(2S)-butan-2-yl]phenyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide

N-[4-[(2S)-butan-2-yl]phenyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide (PubChem CID 9270671) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[4-[(2S)-butan-2-yl]phenyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide.

Molecular Properties

Compound NameN-[4-[(2S)-butan-2-yl]phenyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
PubChem CID9270671
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[4-[(2S)-butan-2-yl]phenyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
SMILESCC[C@H](C)c1ccc(NC(=O)c2ccc(CNC(=O)NC(C)C)cc2)cc1
InChIInChI=1S/C22H29N3O2/c1-5-16(4)18-10-12-20(13-11-18)25-21(26)19-8-6-17(7-9-19)14-23-22(27)24-15(2)3/h6-13,15-16H,5,14H2,1-4H3,(H,25,26)(H2,23,24,27)/t16-/m0/s1
InChIKeyYZOJUPZGNLERDR-INIZCTEOSA-N
XLogP4.66
TPSA70.23 Ų
H-Bond Donors3
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 ≤ 53
H-Bond Acceptors ≤ 102

Analyze N-[4-[(2S)-butan-2-yl]phenyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide with MolForge

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Related Compounds

4-(aminomethyl)-N-(4-butan-2-ylphenyl)benzamide
CID 43702118
[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate
CID 8914880
N-(3,5-dichlorophenyl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9206376
N-ethyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9207204
4-benzamido-N-(4-butan-2-ylphenyl)benzamide
CID 17153198
4-bromo-N-(4-butan-2-ylphenyl)benzamide
CID 2842671
4-ethyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 38175728
N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 47116390
4-[(carbamoylamino)methyl]-N-(4-propan-2-ylphenyl)benzamide
CID 35018877
4-(aminomethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 119293093
N-[(4-cyanophenyl)methyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 60506191
4-(propan-2-ylcarbamoylamino)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 55829604

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-butan-2-yl]phenyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide?
The IUPAC name of N-[4-[(2S)-butan-2-yl]phenyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide (CID 9270671) is N-[4-[(2S)-butan-2-yl]phenyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide.
What is the SMILES notation for N-[4-[(2S)-butan-2-yl]phenyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide?
The canonical SMILES for N-[4-[(2S)-butan-2-yl]phenyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide is CC[C@H](C)c1ccc(NC(=O)c2ccc(CNC(=O)NC(C)C)cc2)cc1.
What is the InChIKey of N-[4-[(2S)-butan-2-yl]phenyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide?
The InChIKey is YZOJUPZGNLERDR-INIZCTEOSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-5-16(4)18-10-12-20(13-11-18)25-21(26)19-8-6-17(7-9-19)14-23-22(27)24-15(2)3/h6-13,15-16H,5,14H2,1-4H3,(H,25,26)(H2,23,24,27)/t16-/m0/s1.
What are the key properties of N-[4-[(2S)-butan-2-yl]phenyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide?
N-[4-[(2S)-butan-2-yl]phenyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide has a molecular weight of 367.49 g/mol, XLogP of 4.66, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-butan-2-yl]phenyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide is sourced from PubChem (CID 9270671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).