N-[3-(cyclopropylmethoxy)propyl]pyrrolidine-1-carboxamide

C12H22N2O2 — CID 52572173

IUPACN-[3-(cyclopropylmethoxy)propyl]pyrrolidine-1-carboxamide
SMILESO=C(NCCCOCC1CC1)N1CCCC1
InChIInChI=1S/C12H22N2O2/c15-12(14-7-1-2-8-14)13-6-3-9-16-10-11-4-5-11/h11H,1-10H2,(H,13,15)
InChIKeyHWTUKLJWTKKHCC-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.61
Rot. Bonds6

About N-[3-(cyclopropylmethoxy)propyl]pyrrolidine-1-carboxamide

N-[3-(cyclopropylmethoxy)propyl]pyrrolidine-1-carboxamide (PubChem CID 52572173) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)propyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)propyl]pyrrolidine-1-carboxamide
PubChem CID52572173
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-[3-(cyclopropylmethoxy)propyl]pyrrolidine-1-carboxamide
SMILESO=C(NCCCOCC1CC1)N1CCCC1
InChIInChI=1S/C12H22N2O2/c15-12(14-7-1-2-8-14)13-6-3-9-16-10-11-4-5-11/h11H,1-10H2,(H,13,15)
InChIKeyHWTUKLJWTKKHCC-UHFFFAOYSA-N
XLogP1.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3aR,6aR)-N-[3-(cyclopropylmethoxy)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 97223382
1-[3-(cyclopropylmethoxy)propylcarbamoyl]piperidine-2-carboxylic acid
CID 103994468
N-[2-(cyclopropylmethoxy)ethyl]-4-methylpiperidine-1-carboxamide
CID 113233568
N-(2-cyclopropylethyl)pyrrolidine-1-carboxamide
CID 54293585
N-(3-butoxypropyl)azetidine-1-carboxamide
CID 71943747
1-(cyclopropanecarbonyl)-N-[3-(cyclopropylmethoxy)propyl]piperidine-4-carboxamide
CID 46419524
N-[3-(oxan-4-ylmethoxy)propyl]-1,3,3a,4,7,7a-hexahydroisoindole-2-carboxamide
CID 71989895
1-(3-ethoxypropylcarbamoyl)piperidine-4-carboxylic acid
CID 43318547
N-[3-(cyclopropylamino)propyl]azepane-1-carboxamide
CID 79152117
N-(3-hydroxypropyl)piperidine-1-carboxamide
CID 112725647
N-[3-(cyclopropylmethoxy)propyl]-2-methoxypropanamide
CID 115588529
N-[2-(2-pentoxyethoxy)ethyl]piperidine-1-carboxamide
CID 142462951

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)propyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[3-(cyclopropylmethoxy)propyl]pyrrolidine-1-carboxamide (CID 52572173) is N-[3-(cyclopropylmethoxy)propyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)propyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[3-(cyclopropylmethoxy)propyl]pyrrolidine-1-carboxamide is O=C(NCCCOCC1CC1)N1CCCC1.
What is the InChIKey of N-[3-(cyclopropylmethoxy)propyl]pyrrolidine-1-carboxamide?
The InChIKey is HWTUKLJWTKKHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c15-12(14-7-1-2-8-14)13-6-3-9-16-10-11-4-5-11/h11H,1-10H2,(H,13,15).
What are the key properties of N-[3-(cyclopropylmethoxy)propyl]pyrrolidine-1-carboxamide?
N-[3-(cyclopropylmethoxy)propyl]pyrrolidine-1-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)propyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 52572173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).