N-cyclopropyl-2-[[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]amino]benzamide

C25H33N3O2 — CID 8923589

IUPACN-cyclopropyl-2-[[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]amino]benzamide
SMILESCC(C)c1ccc([C@@H](NCC(=O)Nc2ccccc2C(=O)NC2CC2)C(C)C)cc1
InChIInChI=1S/C25H33N3O2/c1-16(2)18-9-11-19(12-10-18)24(17(3)4)26-15-23(29)28-22-8-6-5-7-21(22)25(30)27-20-13-14-20/h5-12,16-17,20,24,26H,13-15H2,1-4H3,(H,27,30)(H,28,29)/t24-/m0/s1
InChIKeyLAPNIEHDNVMRTO-DEOSSOPVSA-N
MW407.56 g/mol
LogP4.63
Rot. Bonds9

About N-cyclopropyl-2-[[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]amino]benzamide

N-cyclopropyl-2-[[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]amino]benzamide (PubChem CID 8923589) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]amino]benzamide
PubChem CID8923589
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC NameN-cyclopropyl-2-[[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]amino]benzamide
SMILESCC(C)c1ccc([C@@H](NCC(=O)Nc2ccccc2C(=O)NC2CC2)C(C)C)cc1
InChIInChI=1S/C25H33N3O2/c1-16(2)18-9-11-19(12-10-18)24(17(3)4)26-15-23(29)28-22-8-6-5-7-21(22)25(30)27-20-13-14-20/h5-12,16-17,20,24,26H,13-15H2,1-4H3,(H,27,30)(H,28,29)/t24-/m0/s1
InChIKeyLAPNIEHDNVMRTO-DEOSSOPVSA-N
XLogP4.63
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-2-[[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-2-[[2-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino]acetyl]amino]benzamide
CID 40804188
N-cyclopropyl-2-[[2-[[(1S)-1-phenylethyl]amino]acetyl]amino]benzamide
CID 8897970
N-cyclopropyl-2-[[2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetyl]amino]benzamide
CID 40919469
N-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]benzamide
CID 60854322
N-(2-cyanophenyl)-2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide
CID 8922928
N-cyclopentyl-2-[[2-[[(4-fluorophenyl)-phenylmethyl]amino]acetyl]amino]benzamide
CID 60537204
2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 18144272
2-(butanoylamino)-N-cyclopropylbenzamide
CID 31824279
N-cyclopropyl-2-[[2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetyl]amino]benzamide
CID 41103017
N-(2-chloro-3-pyridinyl)-2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide
CID 8923068
2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-cyclopropylbenzamide
CID 51312955
2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-fluorophenyl)acetamide
CID 16598681

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-2-[[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]amino]benzamide (CID 8923589) is N-cyclopropyl-2-[[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-2-[[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-2-[[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]amino]benzamide is CC(C)c1ccc([C@@H](NCC(=O)Nc2ccccc2C(=O)NC2CC2)C(C)C)cc1.
What is the InChIKey of N-cyclopropyl-2-[[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]amino]benzamide?
The InChIKey is LAPNIEHDNVMRTO-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-16(2)18-9-11-19(12-10-18)24(17(3)4)26-15-23(29)28-22-8-6-5-7-21(22)25(30)27-20-13-14-20/h5-12,16-17,20,24,26H,13-15H2,1-4H3,(H,27,30)(H,28,29)/t24-/m0/s1.
What are the key properties of N-cyclopropyl-2-[[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]amino]benzamide?
N-cyclopropyl-2-[[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]amino]benzamide has a molecular weight of 407.56 g/mol, XLogP of 4.63, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]amino]benzamide is sourced from PubChem (CID 8923589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).