N-(5-amino-2,2-dimethylpentyl)-3-propan-2-yloxybenzamide

C17H28N2O2 — CID 106140510

IUPACN-(5-amino-2,2-dimethylpentyl)-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)NCC(C)(C)CCCN)c1
InChIInChI=1S/C17H28N2O2/c1-13(2)21-15-8-5-7-14(11-15)16(20)19-12-17(3,4)9-6-10-18/h5,7-8,11,13H,6,9-10,12,18H2,1-4H3,(H,19,20)
InChIKeyPQWCPVNLYFNLTO-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.97
Rot. Bonds8

About N-(5-amino-2,2-dimethylpentyl)-3-propan-2-yloxybenzamide

N-(5-amino-2,2-dimethylpentyl)-3-propan-2-yloxybenzamide (PubChem CID 106140510) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-(5-amino-2,2-dimethylpentyl)-3-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(5-amino-2,2-dimethylpentyl)-3-propan-2-yloxybenzamide
PubChem CID106140510
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-(5-amino-2,2-dimethylpentyl)-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)NCC(C)(C)CCCN)c1
InChIInChI=1S/C17H28N2O2/c1-13(2)21-15-8-5-7-14(11-15)16(20)19-12-17(3,4)9-6-10-18/h5,7-8,11,13H,6,9-10,12,18H2,1-4H3,(H,19,20)
InChIKeyPQWCPVNLYFNLTO-UHFFFAOYSA-N
XLogP2.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-methylpentyl)-3-propan-2-yloxybenzamide
CID 106289382
N-(4-amino-2-methylbutyl)-3-propan-2-yloxybenzamide
CID 66090435
N-(5-amino-2,2-dimethylpentyl)-3,4-dimethoxybenzamide
CID 106141080
N-(4-chloropentyl)-3-propan-2-yloxybenzamide
CID 106130049
N-[3-(aminomethyl)pentan-3-yl]-3-propan-2-yloxybenzamide
CID 63767069
N-propan-2-yl-3-propan-2-yloxybenzamide
CID 8779048
N-[3-(2-chloroethoxy)propyl]-3-propan-2-yloxybenzamide
CID 106307036
N-[[1-(aminomethyl)cyclopentyl]methyl]-3-propan-2-yloxybenzamide
CID 115365539
N-(5-chloro-2,2-dimethylpentyl)-3-methylbenzamide
CID 114149573
N-(5-amino-2,2-dimethylpentyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 106140544
N-(4-amino-4-hydroxyiminobutyl)-3-propan-2-yloxybenzamide
CID 76977754
2-[[2-[(3-propan-2-yloxybenzoyl)amino]acetyl]amino]acetic acid
CID 62919115

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,2-dimethylpentyl)-3-propan-2-yloxybenzamide?
The IUPAC name of N-(5-amino-2,2-dimethylpentyl)-3-propan-2-yloxybenzamide (CID 106140510) is N-(5-amino-2,2-dimethylpentyl)-3-propan-2-yloxybenzamide.
What is the SMILES notation for N-(5-amino-2,2-dimethylpentyl)-3-propan-2-yloxybenzamide?
The canonical SMILES for N-(5-amino-2,2-dimethylpentyl)-3-propan-2-yloxybenzamide is CC(C)Oc1cccc(C(=O)NCC(C)(C)CCCN)c1.
What is the InChIKey of N-(5-amino-2,2-dimethylpentyl)-3-propan-2-yloxybenzamide?
The InChIKey is PQWCPVNLYFNLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13(2)21-15-8-5-7-14(11-15)16(20)19-12-17(3,4)9-6-10-18/h5,7-8,11,13H,6,9-10,12,18H2,1-4H3,(H,19,20).
What are the key properties of N-(5-amino-2,2-dimethylpentyl)-3-propan-2-yloxybenzamide?
N-(5-amino-2,2-dimethylpentyl)-3-propan-2-yloxybenzamide has a molecular weight of 292.42 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,2-dimethylpentyl)-3-propan-2-yloxybenzamide is sourced from PubChem (CID 106140510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).