N-[5-[[2-(butylamino)acetyl]amino]-2-methylphenyl]propanamide

C16H25N3O2 — CID 54815356

IUPACN-[5-[[2-(butylamino)acetyl]amino]-2-methylphenyl]propanamide
SMILESCCCCNCC(=O)Nc1ccc(C)c(NC(=O)CC)c1
InChIInChI=1S/C16H25N3O2/c1-4-6-9-17-11-16(21)18-13-8-7-12(3)14(10-13)19-15(20)5-2/h7-8,10,17H,4-6,9,11H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyOLPRHEVGHQODCC-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.67
Rot. Bonds8

About N-[5-[[2-(butylamino)acetyl]amino]-2-methylphenyl]propanamide

N-[5-[[2-(butylamino)acetyl]amino]-2-methylphenyl]propanamide (PubChem CID 54815356) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-[5-[[2-(butylamino)acetyl]amino]-2-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[5-[[2-(butylamino)acetyl]amino]-2-methylphenyl]propanamide
PubChem CID54815356
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN-[5-[[2-(butylamino)acetyl]amino]-2-methylphenyl]propanamide
SMILESCCCCNCC(=O)Nc1ccc(C)c(NC(=O)CC)c1
InChIInChI=1S/C16H25N3O2/c1-4-6-9-17-11-16(21)18-13-8-7-12(3)14(10-13)19-15(20)5-2/h7-8,10,17H,4-6,9,11H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyOLPRHEVGHQODCC-UHFFFAOYSA-N
XLogP2.67
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[5-[[2-(3-methoxypropylamino)acetyl]amino]-2-methylphenyl]propanamide
CID 54829023
2-(butylamino)-N-(3,4-dimethylphenyl)acetamide
CID 54815382
N-[3-[(2-bromoacetyl)amino]-4-methylphenyl]propanamide
CID 63680059
N-butyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54844769
N-[4-[[2-(propylamino)acetyl]amino]phenyl]propanamide
CID 54818859
5-bromo-N-[2-methyl-5-(propanoylamino)phenyl]pentanamide
CID 107908652
2-(butylamino)-N-(2-methylphenyl)acetamide;hydrochloride
CID 3026030
6-amino-N-[2-methyl-5-(propanoylamino)phenyl]hexanamide
CID 43700728
N-[3-(4-aminobutanoylamino)-4-methylphenyl]pentanamide
CID 39193331
N-[4-methyl-3-(propanoylamino)phenyl]pyridine-4-carboxamide
CID 46761053
N-(4-bromo-3-methylphenyl)-2-(pentylamino)acetamide
CID 109005999
2-(butylamino)-N-(4-ethylphenyl)acetamide
CID 108993075

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(butylamino)acetyl]amino]-2-methylphenyl]propanamide?
The IUPAC name of N-[5-[[2-(butylamino)acetyl]amino]-2-methylphenyl]propanamide (CID 54815356) is N-[5-[[2-(butylamino)acetyl]amino]-2-methylphenyl]propanamide.
What is the SMILES notation for N-[5-[[2-(butylamino)acetyl]amino]-2-methylphenyl]propanamide?
The canonical SMILES for N-[5-[[2-(butylamino)acetyl]amino]-2-methylphenyl]propanamide is CCCCNCC(=O)Nc1ccc(C)c(NC(=O)CC)c1.
What is the InChIKey of N-[5-[[2-(butylamino)acetyl]amino]-2-methylphenyl]propanamide?
The InChIKey is OLPRHEVGHQODCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-6-9-17-11-16(21)18-13-8-7-12(3)14(10-13)19-15(20)5-2/h7-8,10,17H,4-6,9,11H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of N-[5-[[2-(butylamino)acetyl]amino]-2-methylphenyl]propanamide?
N-[5-[[2-(butylamino)acetyl]amino]-2-methylphenyl]propanamide has a molecular weight of 291.40 g/mol, XLogP of 2.67, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(butylamino)acetyl]amino]-2-methylphenyl]propanamide is sourced from PubChem (CID 54815356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).