N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-methoxy-5-methylbenzamide

C16H26N2O2 — CID 79667751

IUPACN-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-methoxy-5-methylbenzamide
SMILESCCN(CC(C)(C)CN)C(=O)c1cc(C)ccc1OC
InChIInChI=1S/C16H26N2O2/c1-6-18(11-16(3,4)10-17)15(19)13-9-12(2)7-8-14(13)20-5/h7-9H,6,10-11,17H2,1-5H3
InChIKeyXSZCKTLVBGIAOC-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.45
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-methoxy-5-methylbenzamide

N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-methoxy-5-methylbenzamide (PubChem CID 79667751) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-methoxy-5-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-methoxy-5-methylbenzamide
PubChem CID79667751
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-methoxy-5-methylbenzamide
SMILESCCN(CC(C)(C)CN)C(=O)c1cc(C)ccc1OC
InChIInChI=1S/C16H26N2O2/c1-6-18(11-16(3,4)10-17)15(19)13-9-12(2)7-8-14(13)20-5/h7-9H,6,10-11,17H2,1-5H3
InChIKeyXSZCKTLVBGIAOC-UHFFFAOYSA-N
XLogP2.45
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-5-chloro-N-ethyl-2-methoxybenzamide
CID 79667577
2-methoxy-5-methyl-N,N-dipropylbenzamide
CID 110761077
N-(3-amino-2,2-dimethylpropyl)-2-fluoro-5-methyl-N-propylbenzamide
CID 79667349
N-(2-cyanoethyl)-N-ethyl-2-methoxy-5-methylbenzamide
CID 62503533
N-(3-amino-2,2-dimethylpropyl)-2,4-dimethyl-N-propylbenzamide
CID 79667849
2-methoxy-N,5-dimethylbenzohydrazide
CID 116845575
N-(2-cyanopropyl)-N-ethyl-2-methoxy-5-methylbenzamide
CID 62503366
N-(3-amino-2,2-dimethylpropyl)-2,4-dibromo-N-ethylbenzamide
CID 107940082
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-fluoro-3-methylbenzamide
CID 81477271
2-[(2-methoxy-5-methylbenzoyl)-propylamino]acetic acid
CID 61008916
N-(2-chloroethyl)-2-methoxy-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107492183
N-(3-amino-2,2-dimethylpropyl)-N,2,5-trimethylbenzamide
CID 79652780

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-methoxy-5-methylbenzamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-methoxy-5-methylbenzamide (CID 79667751) is N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-methoxy-5-methylbenzamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-methoxy-5-methylbenzamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-methoxy-5-methylbenzamide is CCN(CC(C)(C)CN)C(=O)c1cc(C)ccc1OC.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-methoxy-5-methylbenzamide?
The InChIKey is XSZCKTLVBGIAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-6-18(11-16(3,4)10-17)15(19)13-9-12(2)7-8-14(13)20-5/h7-9H,6,10-11,17H2,1-5H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-methoxy-5-methylbenzamide?
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-methoxy-5-methylbenzamide has a molecular weight of 278.40 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-methoxy-5-methylbenzamide is sourced from PubChem (CID 79667751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).