N-[[4-(dipropylamino)phenyl]-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide

C29H35N3O2 — CID 71460953

IUPACN-[[4-(dipropylamino)phenyl]-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide
SMILESCCCN(CCC)c1ccc(C(NC(=O)Cc2ccccc2)NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C29H35N3O2/c1-3-19-32(20-4-2)26-17-15-25(16-18-26)29(30-27(33)21-23-11-7-5-8-12-23)31-28(34)22-24-13-9-6-10-14-24/h5-18,29H,3-4,19-22H2,1-2H3,(H,30,33)(H,31,34)
InChIKeyACLRMEGZKLFCJJ-UHFFFAOYSA-N
MW457.62 g/mol
LogP5.03
Rot. Bonds12

About N-[[4-(dipropylamino)phenyl]-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide

N-[[4-(dipropylamino)phenyl]-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide (PubChem CID 71460953) has the molecular formula C29H35N3O2 and a molecular weight of 457.62 g/mol. Its IUPAC name is N-[[4-(dipropylamino)phenyl]-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[[4-(dipropylamino)phenyl]-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide
PubChem CID71460953
Molecular FormulaC29H35N3O2
Molecular Weight457.62 g/mol
Exact Mass457.27
IUPAC NameN-[[4-(dipropylamino)phenyl]-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide
SMILESCCCN(CCC)c1ccc(C(NC(=O)Cc2ccccc2)NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C29H35N3O2/c1-3-19-32(20-4-2)26-17-15-25(16-18-26)29(30-27(33)21-23-11-7-5-8-12-23)31-28(34)22-24-13-9-6-10-14-24/h5-18,29H,3-4,19-22H2,1-2H3,(H,30,33)(H,31,34)
InChIKeyACLRMEGZKLFCJJ-UHFFFAOYSA-N
XLogP5.03
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.62
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[[4-(dipropylamino)phenyl]-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide 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

2-phenyl-N-[[(2-phenylacetyl)amino]-(4-propan-2-ylphenyl)methyl]acetamide
CID 71459141
N-[[4-(dimethylamino)phenyl]-[(2-pyridin-3-ylacetyl)amino]methyl]-2-pyridin-3-ylacetamide
CID 71664480
N-[1-(4-ethylphenyl)ethyl]-2-phenylacetamide
CID 2854113
N-[4-[1-(ethylamino)ethyl]phenyl]-2-phenylacetamide
CID 43507673
2-(4-chlorophenyl)-N-[(4-chlorophenyl)-[[2-(4-chlorophenyl)acetyl]amino]methyl]acetamide
CID 71459140
N-[6-[4-[ethyl(propyl)amino]phenyl]-2-pyridinyl]-2-phenylacetamide
CID 144711749
N,N-dipropylaniline;ethane
CID 142135231
2-phenyl-N-[1-[(2-phenylacetyl)amino]pentyl]acetamide
CID 71451972
N-hexan-3-yl-2-phenylacetamide
CID 129166933
N-[4-(dimethylamino)phenyl]-2-phenylacetamide
CID 4095589
N-[4-(dipropylamino)phenyl]-2-methylpropanamide
CID 112985613
1-N-benzyl-4-N,4-N-dipropylbenzene-1,4-diamine
CID 83962170

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dipropylamino)phenyl]-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide?
The IUPAC name of N-[[4-(dipropylamino)phenyl]-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide (CID 71460953) is N-[[4-(dipropylamino)phenyl]-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide.
What is the SMILES notation for N-[[4-(dipropylamino)phenyl]-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide?
The canonical SMILES for N-[[4-(dipropylamino)phenyl]-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide is CCCN(CCC)c1ccc(C(NC(=O)Cc2ccccc2)NC(=O)Cc2ccccc2)cc1.
What is the InChIKey of N-[[4-(dipropylamino)phenyl]-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide?
The InChIKey is ACLRMEGZKLFCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O2/c1-3-19-32(20-4-2)26-17-15-25(16-18-26)29(30-27(33)21-23-11-7-5-8-12-23)31-28(34)22-24-13-9-6-10-14-24/h5-18,29H,3-4,19-22H2,1-2H3,(H,30,33)(H,31,34).
What are the key properties of N-[[4-(dipropylamino)phenyl]-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide?
N-[[4-(dipropylamino)phenyl]-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide has a molecular weight of 457.62 g/mol, XLogP of 5.03, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dipropylamino)phenyl]-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide is sourced from PubChem (CID 71460953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).