N-(2-methylpropyl)-3-propoxy-N-(pyrrolidin-2-ylmethyl)propanamide

C15H30N2O2 — CID 106611256

IUPACN-(2-methylpropyl)-3-propoxy-N-(pyrrolidin-2-ylmethyl)propanamide
SMILESCCCOCCC(=O)N(CC(C)C)CC1CCCN1
InChIInChI=1S/C15H30N2O2/c1-4-9-19-10-7-15(18)17(11-13(2)3)12-14-6-5-8-16-14/h13-14,16H,4-12H2,1-3H3
InChIKeyNVOKYZNZMDNOMR-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.04
Rot. Bonds9

About N-(2-methylpropyl)-3-propoxy-N-(pyrrolidin-2-ylmethyl)propanamide

N-(2-methylpropyl)-3-propoxy-N-(pyrrolidin-2-ylmethyl)propanamide (PubChem CID 106611256) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-propoxy-N-(pyrrolidin-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-propoxy-N-(pyrrolidin-2-ylmethyl)propanamide
PubChem CID106611256
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC NameN-(2-methylpropyl)-3-propoxy-N-(pyrrolidin-2-ylmethyl)propanamide
SMILESCCCOCCC(=O)N(CC(C)C)CC1CCCN1
InChIInChI=1S/C15H30N2O2/c1-4-9-19-10-7-15(18)17(11-13(2)3)12-14-6-5-8-16-14/h13-14,16H,4-12H2,1-3H3
InChIKeyNVOKYZNZMDNOMR-UHFFFAOYSA-N
XLogP2.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pentanamide
CID 106611015
3-(2,2-difluoroethoxy)-N-propyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106610729
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 106611388
N-butyl-3-methoxy-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106612022
3-(2,2-difluoroethoxy)-N-ethyl-N-(piperidin-2-ylmethyl)propanamide
CID 106626231
1-ethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide
CID 106611291
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 106611236
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 106611032
N-[2-(2-methoxyethoxy)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106617190
N-(2-methylpropyl)-2-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106611302
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106611566
2-ethyl-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 106611787

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-propoxy-N-(pyrrolidin-2-ylmethyl)propanamide?
The IUPAC name of N-(2-methylpropyl)-3-propoxy-N-(pyrrolidin-2-ylmethyl)propanamide (CID 106611256) is N-(2-methylpropyl)-3-propoxy-N-(pyrrolidin-2-ylmethyl)propanamide.
What is the SMILES notation for N-(2-methylpropyl)-3-propoxy-N-(pyrrolidin-2-ylmethyl)propanamide?
The canonical SMILES for N-(2-methylpropyl)-3-propoxy-N-(pyrrolidin-2-ylmethyl)propanamide is CCCOCCC(=O)N(CC(C)C)CC1CCCN1.
What is the InChIKey of N-(2-methylpropyl)-3-propoxy-N-(pyrrolidin-2-ylmethyl)propanamide?
The InChIKey is NVOKYZNZMDNOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-4-9-19-10-7-15(18)17(11-13(2)3)12-14-6-5-8-16-14/h13-14,16H,4-12H2,1-3H3.
What are the key properties of N-(2-methylpropyl)-3-propoxy-N-(pyrrolidin-2-ylmethyl)propanamide?
N-(2-methylpropyl)-3-propoxy-N-(pyrrolidin-2-ylmethyl)propanamide has a molecular weight of 270.42 g/mol, XLogP of 2.04, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-propoxy-N-(pyrrolidin-2-ylmethyl)propanamide is sourced from PubChem (CID 106611256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).