N-(3-amino-2,2-dimethylpropyl)-2-ethoxybenzamide

C14H22N2O2 — CID 115365704

IUPACN-(3-amino-2,2-dimethylpropyl)-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCC(C)(C)CN
InChIInChI=1S/C14H22N2O2/c1-4-18-12-8-6-5-7-11(12)13(17)16-10-14(2,3)9-15/h5-8H,4,9-10,15H2,1-3H3,(H,16,17)
InChIKeyNLMWXHMSIPKYRE-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.80
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-2-ethoxybenzamide

N-(3-amino-2,2-dimethylpropyl)-2-ethoxybenzamide (PubChem CID 115365704) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2-ethoxybenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2-ethoxybenzamide
PubChem CID115365704
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCC(C)(C)CN
InChIInChI=1S/C14H22N2O2/c1-4-18-12-8-6-5-7-11(12)13(17)16-10-14(2,3)9-15/h5-8H,4,9-10,15H2,1-3H3,(H,16,17)
InChIKeyNLMWXHMSIPKYRE-UHFFFAOYSA-N
XLogP1.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2-ethoxy-N-(2-hydroxy-2-methylpropyl)benzamide
CID 142472938
N-(2-amino-2-ethylbutyl)-2-ethoxybenzamide
CID 81484030
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
2-ethoxy-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 121111925
2-ethoxy-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide
CID 109380671
N-(2,2-difluoro-3-hydroxypropyl)-2-ethoxybenzamide
CID 113462770
2-ethoxy-N-(2-hydroxy-2,3-dimethylpentyl)benzamide
CID 111446636
2-ethoxy-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 103712220
N-(2-chloro-4,4-dimethylpentyl)-2-ethoxybenzamide
CID 107157094
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-ethoxybenzamide
CID 103840168
2-ethoxy-N-(2-methoxy-2-phenylbutyl)benzamide
CID 90599488
2-ethoxy-N-(2-hydroxyethyl)benzamide
CID 4088522

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-ethoxybenzamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-ethoxybenzamide (CID 115365704) is N-(3-amino-2,2-dimethylpropyl)-2-ethoxybenzamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2-ethoxybenzamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2-ethoxybenzamide is CCOc1ccccc1C(=O)NCC(C)(C)CN.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2-ethoxybenzamide?
The InChIKey is NLMWXHMSIPKYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-18-12-8-6-5-7-11(12)13(17)16-10-14(2,3)9-15/h5-8H,4,9-10,15H2,1-3H3,(H,16,17).
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2-ethoxybenzamide?
N-(3-amino-2,2-dimethylpropyl)-2-ethoxybenzamide has a molecular weight of 250.34 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-2-ethoxybenzamide is sourced from PubChem (CID 115365704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).