5-[[4-(aminomethyl)phenyl]carbamoylamino]pentanamide

C13H20N4O2 — CID 106238546

IUPAC5-[[4-(aminomethyl)phenyl]carbamoylamino]pentanamide
SMILESNCc1ccc(NC(=O)NCCCCC(N)=O)cc1
InChIInChI=1S/C13H20N4O2/c14-9-10-4-6-11(7-5-10)17-13(19)16-8-2-1-3-12(15)18/h4-7H,1-3,8-9,14H2,(H2,15,18)(H2,16,17,19)
InChIKeyXLZLVRWIZJWNAV-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.92
Rot. Bonds7

About 5-[[4-(aminomethyl)phenyl]carbamoylamino]pentanamide

5-[[4-(aminomethyl)phenyl]carbamoylamino]pentanamide (PubChem CID 106238546) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 5-[[4-(aminomethyl)phenyl]carbamoylamino]pentanamide.

Molecular Properties

Compound Name5-[[4-(aminomethyl)phenyl]carbamoylamino]pentanamide
PubChem CID106238546
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name5-[[4-(aminomethyl)phenyl]carbamoylamino]pentanamide
SMILESNCc1ccc(NC(=O)NCCCCC(N)=O)cc1
InChIInChI=1S/C13H20N4O2/c14-9-10-4-6-11(7-5-10)17-13(19)16-8-2-1-3-12(15)18/h4-7H,1-3,8-9,14H2,(H2,15,18)(H2,16,17,19)
InChIKeyXLZLVRWIZJWNAV-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
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

3-[4-(butylcarbamoylamino)phenyl]propanamide
CID 91054834
2-[2-[[4-(aminomethyl)phenyl]carbamoylamino]ethoxy]acetamide
CID 106238550
4-[[4-(aminomethyl)phenyl]carbamoylamino]-N-cyclopropylbutanamide
CID 79382010
1-[4-(aminomethyl)phenyl]-3-(3-methylbutyl)urea
CID 43132978
6-[(4-carbamoylphenyl)carbamoylamino]hexanoic acid
CID 61185640
6-[(4-ethylphenyl)carbamoylamino]hexanoic acid
CID 61189525
1-(4-aminobutyl)-3-(4-methylphenyl)urea;hydrochloride
CID 163284843
2-[3-[(4-amino-4-oxobutyl)carbamoylamino]phenyl]acetic acid
CID 65345815
1-[4-(aminomethyl)phenyl]-3-(4-bromophenyl)urea
CID 68938927
7-[(4-fluorophenyl)carbamoylamino]heptanoic acid
CID 24689965
7-[(4-bromophenyl)carbamoylamino]heptanoic acid
CID 61190824
1-[4-(aminomethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea;hydrochloride
CID 166173336

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(aminomethyl)phenyl]carbamoylamino]pentanamide?
The IUPAC name of 5-[[4-(aminomethyl)phenyl]carbamoylamino]pentanamide (CID 106238546) is 5-[[4-(aminomethyl)phenyl]carbamoylamino]pentanamide.
What is the SMILES notation for 5-[[4-(aminomethyl)phenyl]carbamoylamino]pentanamide?
The canonical SMILES for 5-[[4-(aminomethyl)phenyl]carbamoylamino]pentanamide is NCc1ccc(NC(=O)NCCCCC(N)=O)cc1.
What is the InChIKey of 5-[[4-(aminomethyl)phenyl]carbamoylamino]pentanamide?
The InChIKey is XLZLVRWIZJWNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c14-9-10-4-6-11(7-5-10)17-13(19)16-8-2-1-3-12(15)18/h4-7H,1-3,8-9,14H2,(H2,15,18)(H2,16,17,19).
What are the key properties of 5-[[4-(aminomethyl)phenyl]carbamoylamino]pentanamide?
5-[[4-(aminomethyl)phenyl]carbamoylamino]pentanamide has a molecular weight of 264.33 g/mol, XLogP of 0.92, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(aminomethyl)phenyl]carbamoylamino]pentanamide is sourced from PubChem (CID 106238546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).