N-(4-aminophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]acetamide

C15H23N3O2 — CID 114948014

IUPACN-(4-aminophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(N)cc1)CC1(O)CCCC1
InChIInChI=1S/C15H23N3O2/c1-18(11-15(20)8-2-3-9-15)10-14(19)17-13-6-4-12(16)5-7-13/h4-7,20H,2-3,8-11,16H2,1H3,(H,17,19)
InChIKeyKSQLGMRKUCXZKU-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.44
Rot. Bonds5

About N-(4-aminophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]acetamide

N-(4-aminophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]acetamide (PubChem CID 114948014) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]acetamide
PubChem CID114948014
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-(4-aminophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(N)cc1)CC1(O)CCCC1
InChIInChI=1S/C15H23N3O2/c1-18(11-15(20)8-2-3-9-15)10-14(19)17-13-6-4-12(16)5-7-13/h4-7,20H,2-3,8-11,16H2,1H3,(H,17,19)
InChIKeyKSQLGMRKUCXZKU-UHFFFAOYSA-N
XLogP1.44
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 115669668
N-(5-amino-2-fluorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]acetamide
CID 114948097
N-(4-aminophenyl)-2-[ethyl(methyl)amino]acetamide
CID 43263037
N-(4-aminophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-methylacetamide
CID 114948280
N-(4-aminophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 43374598
3-(4-aminophenyl)-1-[(4-hydroxyoxan-4-yl)methyl]-1-methylurea
CID 114950105
N-(4-aminophenyl)-2-[methyl(2-methylbutyl)amino]acetamide
CID 43295413
N-(4-aminophenyl)-3-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 43374496
2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-prop-2-enylacetamide
CID 115758597
2-[(4-aminophenyl)methyl-methylamino]-N-(4-bromophenyl)acetamide
CID 43458291
N-(4-aminophenyl)-2-[methyl(2-phenylethyl)amino]acetamide
CID 65482728
ethyl N-[2-[(1-hydroxycyclopentyl)methyl-methylamino]acetyl]carbamate
CID 115758309

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]acetamide?
The IUPAC name of N-(4-aminophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]acetamide (CID 114948014) is N-(4-aminophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(4-aminophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]acetamide is CN(CC(=O)Nc1ccc(N)cc1)CC1(O)CCCC1.
What is the InChIKey of N-(4-aminophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]acetamide?
The InChIKey is KSQLGMRKUCXZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-18(11-15(20)8-2-3-9-15)10-14(19)17-13-6-4-12(16)5-7-13/h4-7,20H,2-3,8-11,16H2,1H3,(H,17,19).
What are the key properties of N-(4-aminophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]acetamide?
N-(4-aminophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]acetamide has a molecular weight of 277.37 g/mol, XLogP of 1.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]acetamide is sourced from PubChem (CID 114948014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).