7-amino-N-[4-[(carbamoylamino)methyl]phenyl]heptanamide;hydrochloride

C15H25ClN4O2 — CID 119757592

IUPAC7-amino-N-[4-[(carbamoylamino)methyl]phenyl]heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)Nc1ccc(CNC(N)=O)cc1
InChIInChI=1S/C15H24N4O2.ClH/c16-10-4-2-1-3-5-14(20)19-13-8-6-12(7-9-13)11-18-15(17)21;/h6-9H,1-5,10-11,16H2,(H,19,20)(H3,17,18,21);1H
InChIKeyXQECGXGOTQBWQP-UHFFFAOYSA-N
MW328.84 g/mol
LogP2.12
Rot. Bonds9

About 7-amino-N-[4-[(carbamoylamino)methyl]phenyl]heptanamide;hydrochloride

7-amino-N-[4-[(carbamoylamino)methyl]phenyl]heptanamide;hydrochloride (PubChem CID 119757592) has the molecular formula C15H25ClN4O2 and a molecular weight of 328.84 g/mol. Its IUPAC name is 7-amino-N-[4-[(carbamoylamino)methyl]phenyl]heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-[4-[(carbamoylamino)methyl]phenyl]heptanamide;hydrochloride
PubChem CID119757592
Molecular FormulaC15H25ClN4O2
Molecular Weight328.84 g/mol
Exact Mass328.17
IUPAC Name7-amino-N-[4-[(carbamoylamino)methyl]phenyl]heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)Nc1ccc(CNC(N)=O)cc1
InChIInChI=1S/C15H24N4O2.ClH/c16-10-4-2-1-3-5-14(20)19-13-8-6-12(7-9-13)11-18-15(17)21;/h6-9H,1-5,10-11,16H2,(H,19,20)(H3,17,18,21);1H
InChIKeyXQECGXGOTQBWQP-UHFFFAOYSA-N
XLogP2.12
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 52.12
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

6-amino-N-[4-(carbamoylamino)phenyl]hexanamide
CID 43711108
N-[(4-acetamidophenyl)methyl]-7-aminoheptanamide
CID 61260684
7-amino-N-(4-bromophenyl)heptanamide;hydrochloride
CID 119670334
4-(6-aminohexanoylamino)benzamide
CID 24702559
N-[(4-acetamidophenyl)methyl]-4-aminobutanamide;hydrochloride
CID 119277262
4-amino-N-[4-(carbamoylamino)phenyl]butanamide
CID 43711123
N-[(4-acetamidophenyl)methyl]-4-aminobutanamide
CID 61260318
6-amino-N-(4-pentylphenyl)hexanamide
CID 61248961
7-amino-N-[(4-chlorophenyl)methyl]heptanamide
CID 28738770
12-amino-N-[4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]phenyl]dodecanamide
CID 71562300
N-[4-[(7-aminoheptanoylamino)methyl]phenyl]-4-fluorobenzamide
CID 119762425
7-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]heptanamide;hydrochloride
CID 119709277

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[4-[(carbamoylamino)methyl]phenyl]heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-[4-[(carbamoylamino)methyl]phenyl]heptanamide;hydrochloride (CID 119757592) is 7-amino-N-[4-[(carbamoylamino)methyl]phenyl]heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-[4-[(carbamoylamino)methyl]phenyl]heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-[4-[(carbamoylamino)methyl]phenyl]heptanamide;hydrochloride is Cl.NCCCCCCC(=O)Nc1ccc(CNC(N)=O)cc1.
What is the InChIKey of 7-amino-N-[4-[(carbamoylamino)methyl]phenyl]heptanamide;hydrochloride?
The InChIKey is XQECGXGOTQBWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2.ClH/c16-10-4-2-1-3-5-14(20)19-13-8-6-12(7-9-13)11-18-15(17)21;/h6-9H,1-5,10-11,16H2,(H,19,20)(H3,17,18,21);1H.
What are the key properties of 7-amino-N-[4-[(carbamoylamino)methyl]phenyl]heptanamide;hydrochloride?
7-amino-N-[4-[(carbamoylamino)methyl]phenyl]heptanamide;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 2.12, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[4-[(carbamoylamino)methyl]phenyl]heptanamide;hydrochloride is sourced from PubChem (CID 119757592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).