N-cyclopropyl-2-[4-(hydroxymethyl)-N,2-dimethylanilino]acetamide

C14H20N2O2 — CID 62122234

IUPACN-cyclopropyl-2-[4-(hydroxymethyl)-N,2-dimethylanilino]acetamide
SMILESCc1cc(CO)ccc1N(C)CC(=O)NC1CC1
InChIInChI=1S/C14H20N2O2/c1-10-7-11(9-17)3-6-13(10)16(2)8-14(18)15-12-4-5-12/h3,6-7,12,17H,4-5,8-9H2,1-2H3,(H,15,18)
InChIKeyDCHKPFUHGMTGKL-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.20
Rot. Bonds5

About N-cyclopropyl-2-[4-(hydroxymethyl)-N,2-dimethylanilino]acetamide

N-cyclopropyl-2-[4-(hydroxymethyl)-N,2-dimethylanilino]acetamide (PubChem CID 62122234) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-(hydroxymethyl)-N,2-dimethylanilino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-(hydroxymethyl)-N,2-dimethylanilino]acetamide
PubChem CID62122234
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-cyclopropyl-2-[4-(hydroxymethyl)-N,2-dimethylanilino]acetamide
SMILESCc1cc(CO)ccc1N(C)CC(=O)NC1CC1
InChIInChI=1S/C14H20N2O2/c1-10-7-11(9-17)3-6-13(10)16(2)8-14(18)15-12-4-5-12/h3,6-7,12,17H,4-5,8-9H2,1-2H3,(H,15,18)
InChIKeyDCHKPFUHGMTGKL-UHFFFAOYSA-N
XLogP1.20
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.20
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-(5-amino-N,2-dimethylanilino)-N-cyclopropylacetamide
CID 62588683
2-[2-chloro-4-[(cyclopropylamino)methyl]-N-methylanilino]-N-cyclopropylacetamide
CID 81143504
3-[4-(hydroxymethyl)-N,2-dimethylanilino]-N-methylpropanamide
CID 106916334
2-(2-amino-4-cyano-N-methylanilino)-N-cyclopropylacetamide
CID 43577880
3-amino-4-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-methylbenzamide
CID 82989263
N-cyclopropyl-2-(4-formyl-N,3-dimethylanilino)acetamide
CID 62135938
2-[4-chloro-N-methyl-2-[(propan-2-ylamino)methyl]anilino]-N-cyclopropylacetamide
CID 114850143
N-cyclopropyl-2-[2-[(1S)-1-hydroxyethyl]-N-methylanilino]acetamide
CID 78940669
N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]-N,3-dimethylanilino]acetamide
CID 62129290
2-[5-chloro-N-methyl-2-(propylaminomethyl)anilino]-N-cyclopropylacetamide
CID 114850140
methyl 4-amino-3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]benzoate
CID 82785492
2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]-N-cyclopropylacetamide
CID 8911502

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-(hydroxymethyl)-N,2-dimethylanilino]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-(hydroxymethyl)-N,2-dimethylanilino]acetamide (CID 62122234) is N-cyclopropyl-2-[4-(hydroxymethyl)-N,2-dimethylanilino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-(hydroxymethyl)-N,2-dimethylanilino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-(hydroxymethyl)-N,2-dimethylanilino]acetamide is Cc1cc(CO)ccc1N(C)CC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[4-(hydroxymethyl)-N,2-dimethylanilino]acetamide?
The InChIKey is DCHKPFUHGMTGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-7-11(9-17)3-6-13(10)16(2)8-14(18)15-12-4-5-12/h3,6-7,12,17H,4-5,8-9H2,1-2H3,(H,15,18).
What are the key properties of N-cyclopropyl-2-[4-(hydroxymethyl)-N,2-dimethylanilino]acetamide?
N-cyclopropyl-2-[4-(hydroxymethyl)-N,2-dimethylanilino]acetamide has a molecular weight of 248.33 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-(hydroxymethyl)-N,2-dimethylanilino]acetamide is sourced from PubChem (CID 62122234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).