N-(5-amino-2,2-dimethylpentyl)-3,4-dimethoxybenzamide

C16H26N2O3 — CID 106141080

IUPACN-(5-amino-2,2-dimethylpentyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(C)(C)CCCN)cc1OC
InChIInChI=1S/C16H26N2O3/c1-16(2,8-5-9-17)11-18-15(19)12-6-7-13(20-3)14(10-12)21-4/h6-7,10H,5,8-9,11,17H2,1-4H3,(H,18,19)
InChIKeyCUGPKYZMJKMVRO-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.20
Rot. Bonds8

About N-(5-amino-2,2-dimethylpentyl)-3,4-dimethoxybenzamide

N-(5-amino-2,2-dimethylpentyl)-3,4-dimethoxybenzamide (PubChem CID 106141080) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-(5-amino-2,2-dimethylpentyl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(5-amino-2,2-dimethylpentyl)-3,4-dimethoxybenzamide
PubChem CID106141080
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC NameN-(5-amino-2,2-dimethylpentyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(C)(C)CCCN)cc1OC
InChIInChI=1S/C16H26N2O3/c1-16(2,8-5-9-17)11-18-15(19)12-6-7-13(20-3)14(10-12)21-4/h6-7,10H,5,8-9,11,17H2,1-4H3,(H,18,19)
InChIKeyCUGPKYZMJKMVRO-UHFFFAOYSA-N
XLogP2.20
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3-methoxybenzamide
CID 106139342
3-fluoro-N-(5-hydroxy-2,2-dimethylpentyl)-4-methoxybenzamide
CID 75441473
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3,4-dimethoxybenzamide
CID 110291508
N-[2-(aminomethyl)-2-ethylbutyl]-3,4-dimethoxybenzamide
CID 106250783
N-(4-amino-2,2-dimethylbutyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 106140185
N-(2-amino-2-methylpropyl)-4-butoxy-3-methoxybenzamide
CID 119628351
4-amino-N-(2,2-dimethylbutyl)-3-methoxybenzamide
CID 103459930
N-(5-amino-2,2-dimethylpentyl)-4-(dimethylamino)benzamide
CID 106140589
N-[2-(2-fluorophenyl)-2-methylpropyl]-3,4-dimethoxybenzamide
CID 110441404
N-(5-amino-2,2-dimethylpentyl)-3-propan-2-yloxybenzamide
CID 106140510
N-(5-amino-2,2-dimethylpentyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 106140544
3-[(3,4-dimethoxybenzoyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701119

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,2-dimethylpentyl)-3,4-dimethoxybenzamide?
The IUPAC name of N-(5-amino-2,2-dimethylpentyl)-3,4-dimethoxybenzamide (CID 106141080) is N-(5-amino-2,2-dimethylpentyl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(5-amino-2,2-dimethylpentyl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(5-amino-2,2-dimethylpentyl)-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCC(C)(C)CCCN)cc1OC.
What is the InChIKey of N-(5-amino-2,2-dimethylpentyl)-3,4-dimethoxybenzamide?
The InChIKey is CUGPKYZMJKMVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-16(2,8-5-9-17)11-18-15(19)12-6-7-13(20-3)14(10-12)21-4/h6-7,10H,5,8-9,11,17H2,1-4H3,(H,18,19).
What are the key properties of N-(5-amino-2,2-dimethylpentyl)-3,4-dimethoxybenzamide?
N-(5-amino-2,2-dimethylpentyl)-3,4-dimethoxybenzamide has a molecular weight of 294.40 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,2-dimethylpentyl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 106141080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).