5-amino-2-(cyclopropylmethoxy)-N,N-dimethylbenzamide

C13H18N2O2 — CID 134821730

IUPAC5-amino-2-(cyclopropylmethoxy)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cc(N)ccc1OCC1CC1
InChIInChI=1S/C13H18N2O2/c1-15(2)13(16)11-7-10(14)5-6-12(11)17-8-9-3-4-9/h5-7,9H,3-4,8,14H2,1-2H3
InChIKeyNMJZMHYXKBWDTO-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.76
Rot. Bonds4

About 5-amino-2-(cyclopropylmethoxy)-N,N-dimethylbenzamide

5-amino-2-(cyclopropylmethoxy)-N,N-dimethylbenzamide (PubChem CID 134821730) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-amino-2-(cyclopropylmethoxy)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name5-amino-2-(cyclopropylmethoxy)-N,N-dimethylbenzamide
PubChem CID134821730
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name5-amino-2-(cyclopropylmethoxy)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cc(N)ccc1OCC1CC1
InChIInChI=1S/C13H18N2O2/c1-15(2)13(16)11-7-10(14)5-6-12(11)17-8-9-3-4-9/h5-7,9H,3-4,8,14H2,1-2H3
InChIKeyNMJZMHYXKBWDTO-UHFFFAOYSA-N
XLogP1.76
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(cyclopropylmethoxy)benzoic acid
CID 43560606
4-amino-2-(cyclopentylmethoxy)benzoic acid
CID 66321807
3-chloro-4-(cyclopropylmethoxy)aniline
CID 19626993
5-amino-N-(cyclopropylmethyl)-2-methoxy-N-propan-2-ylbenzamide
CID 55001132
4-amino-2-(3,3-dimethylbutoxy)-N,N-dimethylbenzamide
CID 66233795
ethyl 3-(dimethylcarbamoyl)-4-ethoxybenzoate
CID 68872362
cyclobutylmethyl 5-amino-2-(dimethylamino)benzoate
CID 65459983
1-(5-amino-2-ethoxyphenyl)ethanone;hydrochloride
CID 23470682
5-amino-N-ethyl-2-methoxy-N-methylbenzamide
CID 61094369
5-amino-2-ethoxy-N-ethylbenzamide
CID 28689994
5-amino-N-cyclopentyl-N-ethyl-2-methoxybenzamide
CID 61094826
methyl 2-(cyclopropylmethoxy)-5-iodobenzoate
CID 59193408

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(cyclopropylmethoxy)-N,N-dimethylbenzamide?
The IUPAC name of 5-amino-2-(cyclopropylmethoxy)-N,N-dimethylbenzamide (CID 134821730) is 5-amino-2-(cyclopropylmethoxy)-N,N-dimethylbenzamide.
What is the SMILES notation for 5-amino-2-(cyclopropylmethoxy)-N,N-dimethylbenzamide?
The canonical SMILES for 5-amino-2-(cyclopropylmethoxy)-N,N-dimethylbenzamide is CN(C)C(=O)c1cc(N)ccc1OCC1CC1.
What is the InChIKey of 5-amino-2-(cyclopropylmethoxy)-N,N-dimethylbenzamide?
The InChIKey is NMJZMHYXKBWDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-15(2)13(16)11-7-10(14)5-6-12(11)17-8-9-3-4-9/h5-7,9H,3-4,8,14H2,1-2H3.
What are the key properties of 5-amino-2-(cyclopropylmethoxy)-N,N-dimethylbenzamide?
5-amino-2-(cyclopropylmethoxy)-N,N-dimethylbenzamide has a molecular weight of 234.30 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(cyclopropylmethoxy)-N,N-dimethylbenzamide is sourced from PubChem (CID 134821730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).