N-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-(methoxymethyl)benzamide

C18H26N2O3 — CID 52844192

IUPACN-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-(methoxymethyl)benzamide
SMILESCOCc1ccccc1C(=O)NCCNC(=O)CC1CCCC1
InChIInChI=1S/C18H26N2O3/c1-23-13-15-8-4-5-9-16(15)18(22)20-11-10-19-17(21)12-14-6-2-3-7-14/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3,(H,19,21)(H,20,22)
InChIKeyVLJGVBFAJAVVOE-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.26
Rot. Bonds8

About N-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-(methoxymethyl)benzamide

N-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-(methoxymethyl)benzamide (PubChem CID 52844192) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-(methoxymethyl)benzamide
PubChem CID52844192
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-(methoxymethyl)benzamide
SMILESCOCc1ccccc1C(=O)NCCNC(=O)CC1CCCC1
InChIInChI=1S/C18H26N2O3/c1-23-13-15-8-4-5-9-16(15)18(22)20-11-10-19-17(21)12-14-6-2-3-7-14/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3,(H,19,21)(H,20,22)
InChIKeyVLJGVBFAJAVVOE-UHFFFAOYSA-N
XLogP2.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide
CID 119945219
N,2-bis(methoxymethyl)benzamide
CID 91153220
N-(6-hydroxyhexyl)-2-(methoxymethyl)benzamide
CID 103919534
N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-2-(methoxymethyl)benzamide
CID 94021918
5-[[2-(methoxymethyl)benzoyl]amino]pentanoic acid
CID 62031956
2-cyclopentyl-N-[2-[[2-(3-hydroxyphenyl)acetyl]amino]ethyl]acetamide
CID 98231617
2-(methoxymethyl)-N-methylbenzamide
CID 60753373
N-[(1S,2R)-2-methoxycycloheptyl]-2-(methoxymethyl)benzamide
CID 97006278
N-(2-aminoethyl)-2-[(2-cycloheptylacetyl)amino]benzamide
CID 120604092
N-(cyclohexylmethyl)-2-[2-(methylamino)ethyl]benzamide
CID 104547420
N-(5-hydroxy-4-methylpentyl)-2-(methoxymethyl)benzamide
CID 103862006
cis-(1S,3R)-3-[[2-(methoxymethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120676087

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-(methoxymethyl)benzamide?
The IUPAC name of N-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-(methoxymethyl)benzamide (CID 52844192) is N-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-(methoxymethyl)benzamide.
What is the SMILES notation for N-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-(methoxymethyl)benzamide?
The canonical SMILES for N-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-(methoxymethyl)benzamide is COCc1ccccc1C(=O)NCCNC(=O)CC1CCCC1.
What is the InChIKey of N-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-(methoxymethyl)benzamide?
The InChIKey is VLJGVBFAJAVVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-23-13-15-8-4-5-9-16(15)18(22)20-11-10-19-17(21)12-14-6-2-3-7-14/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-(methoxymethyl)benzamide?
N-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-(methoxymethyl)benzamide has a molecular weight of 318.42 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-(methoxymethyl)benzamide is sourced from PubChem (CID 52844192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).