N-butan-2-yl-2-[2-(cyclopropylmethoxy)ethylamino]propanamide

C13H26N2O2 — CID 113233538

IUPACN-butan-2-yl-2-[2-(cyclopropylmethoxy)ethylamino]propanamide
SMILESCCC(C)NC(=O)C(C)NCCOCC1CC1
InChIInChI=1S/C13H26N2O2/c1-4-10(2)15-13(16)11(3)14-7-8-17-9-12-5-6-12/h10-12,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyHMWYGFDLNIRVNR-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.31
Rot. Bonds9

About N-butan-2-yl-2-[2-(cyclopropylmethoxy)ethylamino]propanamide

N-butan-2-yl-2-[2-(cyclopropylmethoxy)ethylamino]propanamide (PubChem CID 113233538) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-butan-2-yl-2-[2-(cyclopropylmethoxy)ethylamino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[2-(cyclopropylmethoxy)ethylamino]propanamide
PubChem CID113233538
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-butan-2-yl-2-[2-(cyclopropylmethoxy)ethylamino]propanamide
SMILESCCC(C)NC(=O)C(C)NCCOCC1CC1
InChIInChI=1S/C13H26N2O2/c1-4-10(2)15-13(16)11(3)14-7-8-17-9-12-5-6-12/h10-12,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyHMWYGFDLNIRVNR-UHFFFAOYSA-N
XLogP1.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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

2-[2-(cyclopropylmethoxy)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 113233536
N-[3-(cyclopropylmethoxy)propyl]butan-2-amine
CID 43206788
(2S,3S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-3-methylpentanamide
CID 103833000
2-(2-ethoxyethylamino)-N-pentan-3-ylpropanamide
CID 43591061
N-butan-2-yl-2-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide
CID 119756291
N-butan-2-yl-2-[(3-methylcyclohexyl)methylamino]propanamide
CID 113226839
N-butan-2-yl-2-[(3-hydroxy-4-methoxybutyl)amino]propanamide
CID 114163587
N-[2-(cyclopropylmethoxy)ethyl]-2-methylbutan-1-amine
CID 103897079
N-butan-2-yl-3-[[N-[3-(cyclopropylmethoxy)propyl]-N'-methylcarbamimidoyl]amino]propanamide
CID 111390765
2-amino-N-[3-(cyclopropylmethoxy)propyl]-3-methylpentanamide
CID 43515321
2-(3-butoxypropylamino)-N-pentan-2-ylpropanamide
CID 115577400
2-bromo-N-[3-(cyclopropylmethoxy)propyl]butanamide
CID 62854201

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[2-(cyclopropylmethoxy)ethylamino]propanamide?
The IUPAC name of N-butan-2-yl-2-[2-(cyclopropylmethoxy)ethylamino]propanamide (CID 113233538) is N-butan-2-yl-2-[2-(cyclopropylmethoxy)ethylamino]propanamide.
What is the SMILES notation for N-butan-2-yl-2-[2-(cyclopropylmethoxy)ethylamino]propanamide?
The canonical SMILES for N-butan-2-yl-2-[2-(cyclopropylmethoxy)ethylamino]propanamide is CCC(C)NC(=O)C(C)NCCOCC1CC1.
What is the InChIKey of N-butan-2-yl-2-[2-(cyclopropylmethoxy)ethylamino]propanamide?
The InChIKey is HMWYGFDLNIRVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-10(2)15-13(16)11(3)14-7-8-17-9-12-5-6-12/h10-12,14H,4-9H2,1-3H3,(H,15,16).
What are the key properties of N-butan-2-yl-2-[2-(cyclopropylmethoxy)ethylamino]propanamide?
N-butan-2-yl-2-[2-(cyclopropylmethoxy)ethylamino]propanamide has a molecular weight of 242.36 g/mol, XLogP of 1.31, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[2-(cyclopropylmethoxy)ethylamino]propanamide is sourced from PubChem (CID 113233538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).