6-amino-N-[4-(carbamoylamino)phenyl]hexanamide

C13H20N4O2 — CID 43711108

IUPAC6-amino-N-[4-(carbamoylamino)phenyl]hexanamide
SMILESNCCCCCC(=O)Nc1ccc(NC(N)=O)cc1
InChIInChI=1S/C13H20N4O2/c14-9-3-1-2-4-12(18)16-10-5-7-11(8-6-10)17-13(15)19/h5-8H,1-4,9,14H2,(H,16,18)(H3,15,17,19)
InChIKeyYYFPVOJQYOGBGB-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.63
Rot. Bonds7

About 6-amino-N-[4-(carbamoylamino)phenyl]hexanamide

6-amino-N-[4-(carbamoylamino)phenyl]hexanamide (PubChem CID 43711108) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 6-amino-N-[4-(carbamoylamino)phenyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[4-(carbamoylamino)phenyl]hexanamide
PubChem CID43711108
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name6-amino-N-[4-(carbamoylamino)phenyl]hexanamide
SMILESNCCCCCC(=O)Nc1ccc(NC(N)=O)cc1
InChIInChI=1S/C13H20N4O2/c14-9-3-1-2-4-12(18)16-10-5-7-11(8-6-10)17-13(15)19/h5-8H,1-4,9,14H2,(H,16,18)(H3,15,17,19)
InChIKeyYYFPVOJQYOGBGB-UHFFFAOYSA-N
XLogP1.63
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[4-(carbamoylamino)phenyl]butanamide
CID 43711123
4-(6-aminohexanoylamino)benzamide
CID 24702559
7-amino-N-[4-[(carbamoylamino)methyl]phenyl]heptanamide;hydrochloride
CID 119757592
7-amino-N-(4-bromophenyl)heptanamide;hydrochloride
CID 119670334
7-amino-N-(4-anilinophenyl)heptanamide
CID 119676142
N-[4-(6-aminohexanoylamino)phenyl]cyclopropanecarboxamide
CID 61254205
ethyl N-[4-(6-aminohexanoylamino)phenyl]carbamate
CID 43706422
7-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]heptanamide;hydrochloride
CID 119709277
4-amino-N-(4-aminophenyl)butanamide
CID 90105668
6-amino-N-[4-(ethylsulfonylamino)phenyl]hexanamide
CID 60944515
5-(6-aminohexanoylamino)-2-chlorobenzamide
CID 43707251
6-amino-N-(4-pentylphenyl)hexanamide
CID 61248961

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[4-(carbamoylamino)phenyl]hexanamide?
The IUPAC name of 6-amino-N-[4-(carbamoylamino)phenyl]hexanamide (CID 43711108) is 6-amino-N-[4-(carbamoylamino)phenyl]hexanamide.
What is the SMILES notation for 6-amino-N-[4-(carbamoylamino)phenyl]hexanamide?
The canonical SMILES for 6-amino-N-[4-(carbamoylamino)phenyl]hexanamide is NCCCCCC(=O)Nc1ccc(NC(N)=O)cc1.
What is the InChIKey of 6-amino-N-[4-(carbamoylamino)phenyl]hexanamide?
The InChIKey is YYFPVOJQYOGBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c14-9-3-1-2-4-12(18)16-10-5-7-11(8-6-10)17-13(15)19/h5-8H,1-4,9,14H2,(H,16,18)(H3,15,17,19).
What are the key properties of 6-amino-N-[4-(carbamoylamino)phenyl]hexanamide?
6-amino-N-[4-(carbamoylamino)phenyl]hexanamide has a molecular weight of 264.33 g/mol, XLogP of 1.63, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[4-(carbamoylamino)phenyl]hexanamide is sourced from PubChem (CID 43711108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).