N-[4-[[2-(cyclohexylamino)acetyl]amino]phenyl]-3-methylbutanamide

C19H29N3O2 — CID 54816270

IUPACN-[4-[[2-(cyclohexylamino)acetyl]amino]phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)CNC2CCCCC2)cc1
InChIInChI=1S/C19H29N3O2/c1-14(2)12-18(23)21-16-8-10-17(11-9-16)22-19(24)13-20-15-6-4-3-5-7-15/h8-11,14-15,20H,3-7,12-13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyZJDZGMPFJCYJDS-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.53
Rot. Bonds7

About N-[4-[[2-(cyclohexylamino)acetyl]amino]phenyl]-3-methylbutanamide

N-[4-[[2-(cyclohexylamino)acetyl]amino]phenyl]-3-methylbutanamide (PubChem CID 54816270) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[4-[[2-(cyclohexylamino)acetyl]amino]phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-[[2-(cyclohexylamino)acetyl]amino]phenyl]-3-methylbutanamide
PubChem CID54816270
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-[4-[[2-(cyclohexylamino)acetyl]amino]phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)CNC2CCCCC2)cc1
InChIInChI=1S/C19H29N3O2/c1-14(2)12-18(23)21-16-8-10-17(11-9-16)22-19(24)13-20-15-6-4-3-5-7-15/h8-11,14-15,20H,3-7,12-13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyZJDZGMPFJCYJDS-UHFFFAOYSA-N
XLogP3.53
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[4-[[2-(cyclohexylamino)acetyl]amino]phenyl]-3-methylbutanamide 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-(4-chlorophenyl)-2-(cyclohexylamino)acetamide
CID 788648
2-(cyclopentylamino)-N-(4-hydroxyphenyl)acetamide
CID 54918004
2-(cyclopentylamino)-N-(4-ethoxyphenyl)acetamide
CID 47107212
cyclohexyl 4-(3-methylbutanoylamino)benzoate
CID 17128664
2-(cyclohexylamino)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 54816663
2-(cyclooctylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]acetamide
CID 9265208
4-[[2-(cyclohexylamino)acetyl]amino]-N-cyclopropylbenzamide
CID 1442013
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-2-(cyclopentylamino)acetamide
CID 1460470
2-(cyclopentylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 60647058
N-(3-bromo-4-methylphenyl)-2-(cyclohexylamino)acetamide
CID 108993617
2-(cyclohexylamino)-N-propan-2-ylacetamide
CID 28565007
2-(cyclooctylamino)-N-(3,4-difluorophenyl)acetamide
CID 9265327

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(cyclohexylamino)acetyl]amino]phenyl]-3-methylbutanamide?
The IUPAC name of N-[4-[[2-(cyclohexylamino)acetyl]amino]phenyl]-3-methylbutanamide (CID 54816270) is N-[4-[[2-(cyclohexylamino)acetyl]amino]phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[4-[[2-(cyclohexylamino)acetyl]amino]phenyl]-3-methylbutanamide?
The canonical SMILES for N-[4-[[2-(cyclohexylamino)acetyl]amino]phenyl]-3-methylbutanamide is CC(C)CC(=O)Nc1ccc(NC(=O)CNC2CCCCC2)cc1.
What is the InChIKey of N-[4-[[2-(cyclohexylamino)acetyl]amino]phenyl]-3-methylbutanamide?
The InChIKey is ZJDZGMPFJCYJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-14(2)12-18(23)21-16-8-10-17(11-9-16)22-19(24)13-20-15-6-4-3-5-7-15/h8-11,14-15,20H,3-7,12-13H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[4-[[2-(cyclohexylamino)acetyl]amino]phenyl]-3-methylbutanamide?
N-[4-[[2-(cyclohexylamino)acetyl]amino]phenyl]-3-methylbutanamide has a molecular weight of 331.46 g/mol, XLogP of 3.53, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(cyclohexylamino)acetyl]amino]phenyl]-3-methylbutanamide is sourced from PubChem (CID 54816270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).