N-[3-[(N-amino-N'-cyclopentylcarbamimidoyl)amino]phenyl]acetamide

C14H21N5O — CID 116512225

IUPACN-[3-[(N-amino-N'-cyclopentylcarbamimidoyl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(N/C(=N/C2CCCC2)NN)c1
InChIInChI=1S/C14H21N5O/c1-10(20)16-12-7-4-8-13(9-12)18-14(19-15)17-11-5-2-3-6-11/h4,7-9,11H,2-3,5-6,15H2,1H3,(H,16,20)(H2,17,18,19)
InChIKeyAJLKOMVWKSNQMX-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.82
Rot. Bonds3

About N-[3-[(N-amino-N'-cyclopentylcarbamimidoyl)amino]phenyl]acetamide

N-[3-[(N-amino-N'-cyclopentylcarbamimidoyl)amino]phenyl]acetamide (PubChem CID 116512225) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is N-[3-[(N-amino-N'-cyclopentylcarbamimidoyl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(N-amino-N'-cyclopentylcarbamimidoyl)amino]phenyl]acetamide
PubChem CID116512225
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC NameN-[3-[(N-amino-N'-cyclopentylcarbamimidoyl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(N/C(=N/C2CCCC2)NN)c1
InChIInChI=1S/C14H21N5O/c1-10(20)16-12-7-4-8-13(9-12)18-14(19-15)17-11-5-2-3-6-11/h4,7-9,11H,2-3,5-6,15H2,1H3,(H,16,20)(H2,17,18,19)
InChIKeyAJLKOMVWKSNQMX-UHFFFAOYSA-N
XLogP1.82
TPSA91.54 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(N-amino-N'-cyclohexylcarbamimidoyl)amino]phenyl]acetamide
CID 116511348
3-[(N-amino-N'-cyclopropylcarbamimidoyl)amino]benzamide
CID 107811889
1-amino-2-cyclopentyl-3-(4-methylphenyl)guanidine
CID 116512584
1-amino-2-cyclohexyl-3-(2,6-diethylphenyl)guanidine
CID 116511634
1-amino-3-(4-chlorophenyl)-2-cyclopentylguanidine
CID 116512323
1-amino-2-cyclohexyl-3-(4-fluoro-3-methoxyphenyl)guanidine
CID 114841236
N-[3-(hydrazinecarbonylamino)phenyl]acetamide
CID 82283644
1-amino-2-cyclohexyl-3-(2,6-dichlorophenyl)guanidine
CID 116515436
1-amino-2-cyclohexyl-3-(3-fluoro-5-methylphenyl)guanidine
CID 116515705
1-amino-3-[4-bromo-3-(trifluoromethyl)phenyl]-2-cyclopentylguanidine
CID 116515518
N-(3-acetamidophenyl)cyclobutanecarboxamide
CID 2666370
N-[3-(cyclopropylamino)phenyl]acetamide
CID 45119286

Frequently Asked Questions

What is the IUPAC name of N-[3-[(N-amino-N'-cyclopentylcarbamimidoyl)amino]phenyl]acetamide?
The IUPAC name of N-[3-[(N-amino-N'-cyclopentylcarbamimidoyl)amino]phenyl]acetamide (CID 116512225) is N-[3-[(N-amino-N'-cyclopentylcarbamimidoyl)amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[(N-amino-N'-cyclopentylcarbamimidoyl)amino]phenyl]acetamide?
The canonical SMILES for N-[3-[(N-amino-N'-cyclopentylcarbamimidoyl)amino]phenyl]acetamide is CC(=O)Nc1cccc(N/C(=N/C2CCCC2)NN)c1.
What is the InChIKey of N-[3-[(N-amino-N'-cyclopentylcarbamimidoyl)amino]phenyl]acetamide?
The InChIKey is AJLKOMVWKSNQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-10(20)16-12-7-4-8-13(9-12)18-14(19-15)17-11-5-2-3-6-11/h4,7-9,11H,2-3,5-6,15H2,1H3,(H,16,20)(H2,17,18,19).
What are the key properties of N-[3-[(N-amino-N'-cyclopentylcarbamimidoyl)amino]phenyl]acetamide?
N-[3-[(N-amino-N'-cyclopentylcarbamimidoyl)amino]phenyl]acetamide has a molecular weight of 275.36 g/mol, XLogP of 1.82, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(N-amino-N'-cyclopentylcarbamimidoyl)amino]phenyl]acetamide is sourced from PubChem (CID 116512225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).