N-[3-(cyclopropylmethoxy)propyl]-3-(propan-2-ylamino)propanamide

C13H26N2O2 — CID 60852522

IUPACN-[3-(cyclopropylmethoxy)propyl]-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)NCCCOCC1CC1
InChIInChI=1S/C13H26N2O2/c1-11(2)14-8-6-13(16)15-7-3-9-17-10-12-4-5-12/h11-12,14H,3-10H2,1-2H3,(H,15,16)
InChIKeyNGOZHLDLBZZPFF-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.31
Rot. Bonds10

About N-[3-(cyclopropylmethoxy)propyl]-3-(propan-2-ylamino)propanamide

N-[3-(cyclopropylmethoxy)propyl]-3-(propan-2-ylamino)propanamide (PubChem CID 60852522) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)propyl]-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)propyl]-3-(propan-2-ylamino)propanamide
PubChem CID60852522
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-[3-(cyclopropylmethoxy)propyl]-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)NCCCOCC1CC1
InChIInChI=1S/C13H26N2O2/c1-11(2)14-8-6-13(16)15-7-3-9-17-10-12-4-5-12/h11-12,14H,3-10H2,1-2H3,(H,15,16)
InChIKeyNGOZHLDLBZZPFF-UHFFFAOYSA-N
XLogP1.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.31
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

5-amino-N-[3-(cyclopropylmethoxy)propyl]hexanamide
CID 82848964
trans-(1S,2S)-N-[3-[3-(cyclopropylmethoxy)propylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 94166299
4-amino-N-[3-(cyclopropylmethoxy)propyl]-3-methylbutanamide
CID 81070667
N-[3-(cyclopropylmethoxy)propyl]-2-methoxypropanamide
CID 115588529
3-(cyclohexylmethoxy)-N-propan-2-ylpropan-1-amine
CID 62343201
(2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-4-methylpentanamide
CID 61155391
3-[[N-[3-(cyclopropylmethoxy)propyl]-N'-methylcarbamimidoyl]amino]-N-propylpropanamide;hydroiodide
CID 111392238
N-cyclopropyl-4-[3-(propan-2-ylamino)propanoylamino]butanamide
CID 79401446
1-[2-[3-(cyclopropylmethoxy)propylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60940856
2-(cyclopropylamino)-N-[3-(cyclopropylmethoxy)propyl]acetamide
CID 60712208
4-[3-(propan-2-ylamino)propanoylamino]butanoic acid
CID 61157472
2-amino-N-[3-(cyclopropylmethoxy)propyl]-3-methylpentanamide
CID 43515321

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-3-(propan-2-ylamino)propanamide (CID 60852522) is N-[3-(cyclopropylmethoxy)propyl]-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)propyl]-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-[3-(cyclopropylmethoxy)propyl]-3-(propan-2-ylamino)propanamide is CC(C)NCCC(=O)NCCCOCC1CC1.
What is the InChIKey of N-[3-(cyclopropylmethoxy)propyl]-3-(propan-2-ylamino)propanamide?
The InChIKey is NGOZHLDLBZZPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11(2)14-8-6-13(16)15-7-3-9-17-10-12-4-5-12/h11-12,14H,3-10H2,1-2H3,(H,15,16).
What are the key properties of N-[3-(cyclopropylmethoxy)propyl]-3-(propan-2-ylamino)propanamide?
N-[3-(cyclopropylmethoxy)propyl]-3-(propan-2-ylamino)propanamide has a molecular weight of 242.36 g/mol, XLogP of 1.31, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)propyl]-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 60852522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).