2-[4-[(cyclopropylamino)methyl]-2-methyl-N-(2-methylpropyl)anilino]acetamide

C17H27N3O — CID 62124929

IUPAC2-[4-[(cyclopropylamino)methyl]-2-methyl-N-(2-methylpropyl)anilino]acetamide
SMILESCc1cc(CNC2CC2)ccc1N(CC(N)=O)CC(C)C
InChIInChI=1S/C17H27N3O/c1-12(2)10-20(11-17(18)21)16-7-4-14(8-13(16)3)9-19-15-5-6-15/h4,7-8,12,15,19H,5-6,9-11H2,1-3H3,(H2,18,21)
InChIKeyDUSIWFGFKYLICU-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.19
Rot. Bonds8

About 2-[4-[(cyclopropylamino)methyl]-2-methyl-N-(2-methylpropyl)anilino]acetamide

2-[4-[(cyclopropylamino)methyl]-2-methyl-N-(2-methylpropyl)anilino]acetamide (PubChem CID 62124929) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[4-[(cyclopropylamino)methyl]-2-methyl-N-(2-methylpropyl)anilino]acetamide.

Molecular Properties

Compound Name2-[4-[(cyclopropylamino)methyl]-2-methyl-N-(2-methylpropyl)anilino]acetamide
PubChem CID62124929
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[4-[(cyclopropylamino)methyl]-2-methyl-N-(2-methylpropyl)anilino]acetamide
SMILESCc1cc(CNC2CC2)ccc1N(CC(N)=O)CC(C)C
InChIInChI=1S/C17H27N3O/c1-12(2)10-20(11-17(18)21)16-7-4-14(8-13(16)3)9-19-15-5-6-15/h4,7-8,12,15,19H,5-6,9-11H2,1-3H3,(H2,18,21)
InChIKeyDUSIWFGFKYLICU-UHFFFAOYSA-N
XLogP2.19
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-[2-chloro-N-(2-methylpropyl)-4-[(propan-2-ylamino)methyl]anilino]acetamide
CID 81144344
3-[4-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-3-methylphenyl]prop-2-enoic acid
CID 76936163
2-[4-(aminomethyl)-N-ethyl-2-methylanilino]acetamide
CID 103103281
N-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-N-methylcycloheptanamine
CID 63552456
N-[(4-methyl-3-propan-2-ylphenyl)methyl]cyclopropanamine
CID 105408787
N-ethyl-4-(ethylaminomethyl)-2-methyl-N-(2-methylpropyl)aniline
CID 62121360
2-[(2-amino-2-oxoethyl)-[5-[(cyclopropylamino)methyl]-2-pyridinyl]amino]acetamide
CID 80635727
N-butyl-4-[(cyclopropylamino)methyl]-N,2-dimethylaniline
CID 62120655
2-[4-(ethylaminomethyl)-2-methyl-N-propan-2-ylanilino]acetamide
CID 55040171
2-[N-cyclopentyl-4-(ethylaminomethyl)-2-methylanilino]acetamide
CID 62122770
3-amino-4-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]benzoic acid
CID 55003908
4-[(cyclopropylamino)methyl]-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)aniline
CID 62122414

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(cyclopropylamino)methyl]-2-methyl-N-(2-methylpropyl)anilino]acetamide?
The IUPAC name of 2-[4-[(cyclopropylamino)methyl]-2-methyl-N-(2-methylpropyl)anilino]acetamide (CID 62124929) is 2-[4-[(cyclopropylamino)methyl]-2-methyl-N-(2-methylpropyl)anilino]acetamide.
What is the SMILES notation for 2-[4-[(cyclopropylamino)methyl]-2-methyl-N-(2-methylpropyl)anilino]acetamide?
The canonical SMILES for 2-[4-[(cyclopropylamino)methyl]-2-methyl-N-(2-methylpropyl)anilino]acetamide is Cc1cc(CNC2CC2)ccc1N(CC(N)=O)CC(C)C.
What is the InChIKey of 2-[4-[(cyclopropylamino)methyl]-2-methyl-N-(2-methylpropyl)anilino]acetamide?
The InChIKey is DUSIWFGFKYLICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12(2)10-20(11-17(18)21)16-7-4-14(8-13(16)3)9-19-15-5-6-15/h4,7-8,12,15,19H,5-6,9-11H2,1-3H3,(H2,18,21).
What are the key properties of 2-[4-[(cyclopropylamino)methyl]-2-methyl-N-(2-methylpropyl)anilino]acetamide?
2-[4-[(cyclopropylamino)methyl]-2-methyl-N-(2-methylpropyl)anilino]acetamide has a molecular weight of 289.42 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(cyclopropylamino)methyl]-2-methyl-N-(2-methylpropyl)anilino]acetamide is sourced from PubChem (CID 62124929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).