3-(cyclopropylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide

C14H26N2O3 — CID 61275516

IUPAC3-(cyclopropylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
SMILESO=C(CCNC1CC1)NCCCOCC1CCCO1
InChIInChI=1S/C14H26N2O3/c17-14(6-8-15-12-4-5-12)16-7-2-9-18-11-13-3-1-10-19-13/h12-13,15H,1-11H2,(H,16,17)
InChIKeyDAPWNOVIOXRMDQ-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.83
Rot. Bonds10

About 3-(cyclopropylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide

3-(cyclopropylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide (PubChem CID 61275516) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
PubChem CID61275516
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-(cyclopropylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
SMILESO=C(CCNC1CC1)NCCCOCC1CCCO1
InChIInChI=1S/C14H26N2O3/c17-14(6-8-15-12-4-5-12)16-7-2-9-18-11-13-3-1-10-19-13/h12-13,15H,1-11H2,(H,16,17)
InChIKeyDAPWNOVIOXRMDQ-UHFFFAOYSA-N
XLogP0.83
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 61276283
2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide
CID 63680867
7-amino-N-[3-(oxolan-2-ylmethoxy)propyl]heptanamide
CID 61274559
3-[[N'-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]carbamimidoyl]amino]-N-propylpropanamide
CID 111408865
2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 107904862
2-hydroxyethyl N-[3-(oxolan-2-ylmethoxy)propyl]carbamate
CID 79345576
2-amino-2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butanamide
CID 79805275
3-(2-aminophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide;hydrochloride
CID 120608330
N-(3-imidazol-1-ylpropyl)-3-(oxolan-2-ylmethoxy)propanamide
CID 86990220
2-(2-methylphenyl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide
CID 94421971
N-[2-(cycloheptylamino)ethyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 124572050
3-[[2-(oxolan-2-ylmethoxy)acetyl]amino]propanoic acid
CID 115729941

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide?
The IUPAC name of 3-(cyclopropylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide (CID 61275516) is 3-(cyclopropylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide?
The canonical SMILES for 3-(cyclopropylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide is O=C(CCNC1CC1)NCCCOCC1CCCO1.
What is the InChIKey of 3-(cyclopropylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide?
The InChIKey is DAPWNOVIOXRMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c17-14(6-8-15-12-4-5-12)16-7-2-9-18-11-13-3-1-10-19-13/h12-13,15H,1-11H2,(H,16,17).
What are the key properties of 3-(cyclopropylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide?
3-(cyclopropylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide has a molecular weight of 270.37 g/mol, XLogP of 0.83, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide is sourced from PubChem (CID 61275516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).