2-[(2-aminophenyl)methyl-(cyclohexylmethyl)amino]acetamide

C16H25N3O — CID 43461373

IUPAC2-[(2-aminophenyl)methyl-(cyclohexylmethyl)amino]acetamide
SMILESNC(=O)CN(Cc1ccccc1N)CC1CCCCC1
InChIInChI=1S/C16H25N3O/c17-15-9-5-4-8-14(15)11-19(12-16(18)20)10-13-6-2-1-3-7-13/h4-5,8-9,13H,1-3,6-7,10-12,17H2,(H2,18,20)
InChIKeyHWQHAJPYWGEJJA-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.14
Rot. Bonds6

About 2-[(2-aminophenyl)methyl-(cyclohexylmethyl)amino]acetamide

2-[(2-aminophenyl)methyl-(cyclohexylmethyl)amino]acetamide (PubChem CID 43461373) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[(2-aminophenyl)methyl-(cyclohexylmethyl)amino]acetamide.

Molecular Properties

Compound Name2-[(2-aminophenyl)methyl-(cyclohexylmethyl)amino]acetamide
PubChem CID43461373
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-[(2-aminophenyl)methyl-(cyclohexylmethyl)amino]acetamide
SMILESNC(=O)CN(Cc1ccccc1N)CC1CCCCC1
InChIInChI=1S/C16H25N3O/c17-15-9-5-4-8-14(15)11-19(12-16(18)20)10-13-6-2-1-3-7-13/h4-5,8-9,13H,1-3,6-7,10-12,17H2,(H2,18,20)
InChIKeyHWQHAJPYWGEJJA-UHFFFAOYSA-N
XLogP2.14
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[cyclohexylmethyl(propyl)amino]methyl]aniline
CID 43459942
2-[[cyclobutylmethyl(propyl)amino]methyl]aniline
CID 65460357
2-[(2-aminophenyl)methyl-[(2-fluorophenyl)methyl]amino]acetamide
CID 43461380
2-[[cyclopentylmethyl(methyl)amino]methyl]aniline
CID 61343922
2-[(2-aminophenyl)methyl-(2,2-difluoroethyl)amino]acetamide
CID 54939184
2-[(2-aminophenyl)methyl-(pyrimidin-2-ylmethyl)amino]acetamide
CID 62700876
2-[(2-aminophenyl)methyl-[(4-chlorophenyl)methyl]amino]acetamide
CID 43461333
2-[benzyl(cyclobutylmethyl)amino]acetic acid
CID 119134931
2-[(2-amino-2-oxoethyl)-(cyclobutylmethyl)amino]acetic acid
CID 107440783
2-(cyclopentylmethyl)aniline
CID 15634615
2-[[ethyl(oxan-4-ylmethyl)amino]methyl]aniline
CID 62385506
2-[(3-amino-2-fluorophenyl)methyl-cyclopentylamino]acetamide
CID 107347341

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminophenyl)methyl-(cyclohexylmethyl)amino]acetamide?
The IUPAC name of 2-[(2-aminophenyl)methyl-(cyclohexylmethyl)amino]acetamide (CID 43461373) is 2-[(2-aminophenyl)methyl-(cyclohexylmethyl)amino]acetamide.
What is the SMILES notation for 2-[(2-aminophenyl)methyl-(cyclohexylmethyl)amino]acetamide?
The canonical SMILES for 2-[(2-aminophenyl)methyl-(cyclohexylmethyl)amino]acetamide is NC(=O)CN(Cc1ccccc1N)CC1CCCCC1.
What is the InChIKey of 2-[(2-aminophenyl)methyl-(cyclohexylmethyl)amino]acetamide?
The InChIKey is HWQHAJPYWGEJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c17-15-9-5-4-8-14(15)11-19(12-16(18)20)10-13-6-2-1-3-7-13/h4-5,8-9,13H,1-3,6-7,10-12,17H2,(H2,18,20).
What are the key properties of 2-[(2-aminophenyl)methyl-(cyclohexylmethyl)amino]acetamide?
2-[(2-aminophenyl)methyl-(cyclohexylmethyl)amino]acetamide has a molecular weight of 275.40 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminophenyl)methyl-(cyclohexylmethyl)amino]acetamide is sourced from PubChem (CID 43461373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).