N-[[4-(carbamoylamino)phenyl]methyl]hexanamide

C14H21N3O2 — CID 52559075

IUPACN-[[4-(carbamoylamino)phenyl]methyl]hexanamide
SMILESCCCCCC(=O)NCc1ccc(NC(N)=O)cc1
InChIInChI=1S/C14H21N3O2/c1-2-3-4-5-13(18)16-10-11-6-8-12(9-7-11)17-14(15)19/h6-9H,2-5,10H2,1H3,(H,16,18)(H3,15,17,19)
InChIKeyIFYHRWWAIIKMHX-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.37
Rot. Bonds7

About N-[[4-(carbamoylamino)phenyl]methyl]hexanamide

N-[[4-(carbamoylamino)phenyl]methyl]hexanamide (PubChem CID 52559075) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[[4-(carbamoylamino)phenyl]methyl]hexanamide.

Molecular Properties

Compound NameN-[[4-(carbamoylamino)phenyl]methyl]hexanamide
PubChem CID52559075
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-[[4-(carbamoylamino)phenyl]methyl]hexanamide
SMILESCCCCCC(=O)NCc1ccc(NC(N)=O)cc1
InChIInChI=1S/C14H21N3O2/c1-2-3-4-5-13(18)16-10-11-6-8-12(9-7-11)17-14(15)19/h6-9H,2-5,10H2,1H3,(H,16,18)(H3,15,17,19)
InChIKeyIFYHRWWAIIKMHX-UHFFFAOYSA-N
XLogP2.37
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide
CID 3350050
N-[[4-(aminomethyl)phenyl]methyl]heptanamide
CID 114751908
N-[(4-methylphenyl)methyl]heptanamide
CID 4159981
N-[(4-methylphenyl)methyl]hexadecanamide
CID 11111158
N-[(4-bromophenyl)methyl]octanamide
CID 60582799
N-[[4-(chloromethyl)phenyl]methyl]heptanamide
CID 107233492
N-benzylundecanamide
CID 5078198
N-[(4-sulfamoylphenyl)methyl]hexanamide
CID 3562284
N-[(4-acetamidophenyl)methyl]-7-aminoheptanamide
CID 61260684
N-[4-[(3-aminopropanoylamino)methyl]phenyl]butanamide
CID 119289487
N-[(4-acetamidophenyl)methyl]-4-aminobutanamide
CID 61260318
N-[(4-sulfamoylphenyl)methyl]heptanamide
CID 4072326

Frequently Asked Questions

What is the IUPAC name of N-[[4-(carbamoylamino)phenyl]methyl]hexanamide?
The IUPAC name of N-[[4-(carbamoylamino)phenyl]methyl]hexanamide (CID 52559075) is N-[[4-(carbamoylamino)phenyl]methyl]hexanamide.
What is the SMILES notation for N-[[4-(carbamoylamino)phenyl]methyl]hexanamide?
The canonical SMILES for N-[[4-(carbamoylamino)phenyl]methyl]hexanamide is CCCCCC(=O)NCc1ccc(NC(N)=O)cc1.
What is the InChIKey of N-[[4-(carbamoylamino)phenyl]methyl]hexanamide?
The InChIKey is IFYHRWWAIIKMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-3-4-5-13(18)16-10-11-6-8-12(9-7-11)17-14(15)19/h6-9H,2-5,10H2,1H3,(H,16,18)(H3,15,17,19).
What are the key properties of N-[[4-(carbamoylamino)phenyl]methyl]hexanamide?
N-[[4-(carbamoylamino)phenyl]methyl]hexanamide has a molecular weight of 263.34 g/mol, XLogP of 2.37, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(carbamoylamino)phenyl]methyl]hexanamide is sourced from PubChem (CID 52559075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).