N-[2-(diethylamino)-4-methylpentyl]-2-pyrrolidin-2-ylacetamide

C16H33N3O — CID 119842297

IUPACN-[2-(diethylamino)-4-methylpentyl]-2-pyrrolidin-2-ylacetamide
SMILESCCN(CC)C(CNC(=O)CC1CCCN1)CC(C)C
InChIInChI=1S/C16H33N3O/c1-5-19(6-2)15(10-13(3)4)12-18-16(20)11-14-8-7-9-17-14/h13-15,17H,5-12H2,1-4H3,(H,18,20)
InChIKeyKCJSTNAYDFAMSI-UHFFFAOYSA-N
MW283.46 g/mol
LogP2.00
Rot. Bonds9

About N-[2-(diethylamino)-4-methylpentyl]-2-pyrrolidin-2-ylacetamide

N-[2-(diethylamino)-4-methylpentyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 119842297) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is N-[2-(diethylamino)-4-methylpentyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-4-methylpentyl]-2-pyrrolidin-2-ylacetamide
PubChem CID119842297
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC NameN-[2-(diethylamino)-4-methylpentyl]-2-pyrrolidin-2-ylacetamide
SMILESCCN(CC)C(CNC(=O)CC1CCCN1)CC(C)C
InChIInChI=1S/C16H33N3O/c1-5-19(6-2)15(10-13(3)4)12-18-16(20)11-14-8-7-9-17-14/h13-15,17H,5-12H2,1-4H3,(H,18,20)
InChIKeyKCJSTNAYDFAMSI-UHFFFAOYSA-N
XLogP2.00
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methylpropylamino)-2-oxoethyl]-2-pyrrolidin-2-ylacetamide
CID 112701818
N-(4-methyl-2-morpholin-4-ylpentyl)-2-pyrrolidin-2-ylacetamide
CID 61363910
2-methyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid
CID 62669553
3-methyl-4-[(2-pyrrolidin-2-ylacetyl)amino]butanoic acid
CID 81073110
N-(2,3-dimethylbutyl)-2-piperidin-2-ylacetamide
CID 64599334
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-pyrrolidin-2-ylacetamide
CID 119849788
N-(3-methoxy-2-methylpropyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119752490
2-methyl-N-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]propanamide
CID 61365863
N-[2-(diethylamino)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119826503
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-(2-methylpropyl)acetamide
CID 106615127
N,N,4-trimethyl-2-[(2-pyrrolidin-2-ylacetyl)amino]pentanamide
CID 61364617
2-amino-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid
CID 77233359

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-4-methylpentyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[2-(diethylamino)-4-methylpentyl]-2-pyrrolidin-2-ylacetamide (CID 119842297) is N-[2-(diethylamino)-4-methylpentyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[2-(diethylamino)-4-methylpentyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[2-(diethylamino)-4-methylpentyl]-2-pyrrolidin-2-ylacetamide is CCN(CC)C(CNC(=O)CC1CCCN1)CC(C)C.
What is the InChIKey of N-[2-(diethylamino)-4-methylpentyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is KCJSTNAYDFAMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-5-19(6-2)15(10-13(3)4)12-18-16(20)11-14-8-7-9-17-14/h13-15,17H,5-12H2,1-4H3,(H,18,20).
What are the key properties of N-[2-(diethylamino)-4-methylpentyl]-2-pyrrolidin-2-ylacetamide?
N-[2-(diethylamino)-4-methylpentyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 283.46 g/mol, XLogP of 2.00, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-4-methylpentyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119842297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).