N-[4-(methylamino)butyl]-4-propan-2-yloxybutanamide

C12H26N2O2 — CID 162749933

IUPACN-[4-(methylamino)butyl]-4-propan-2-yloxybutanamide
SMILESCNCCCCNC(=O)CCCOC(C)C
InChIInChI=1S/C12H26N2O2/c1-11(2)16-10-6-7-12(15)14-9-5-4-8-13-3/h11,13H,4-10H2,1-3H3,(H,14,15)
InChIKeyOGKORUNNOHNXNA-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.31
Rot. Bonds10

About N-[4-(methylamino)butyl]-4-propan-2-yloxybutanamide

N-[4-(methylamino)butyl]-4-propan-2-yloxybutanamide (PubChem CID 162749933) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-[4-(methylamino)butyl]-4-propan-2-yloxybutanamide.

Molecular Properties

Compound NameN-[4-(methylamino)butyl]-4-propan-2-yloxybutanamide
PubChem CID162749933
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC NameN-[4-(methylamino)butyl]-4-propan-2-yloxybutanamide
SMILESCNCCCCNC(=O)CCCOC(C)C
InChIInChI=1S/C12H26N2O2/c1-11(2)16-10-6-7-12(15)14-9-5-4-8-13-3/h11,13H,4-10H2,1-3H3,(H,14,15)
InChIKeyOGKORUNNOHNXNA-UHFFFAOYSA-N
XLogP1.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
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-(4-propan-2-yloxybutanoylamino)pentanoic acid
CID 120687441
4-propan-2-yloxy-N-[4-(prop-2-enoylamino)butyl]butanamide
CID 88906866
N-[2-oxo-2-(4-propan-2-yloxybutylamino)ethyl]-6-propan-2-yloxyhexanamide
CID 166698453
8-methyl-N-(3-propan-2-yloxypropyl)nonanamide
CID 147959666
N-[8-(methylamino)octyl]-2-propan-2-yloxyacetamide
CID 154671213
N-heptyl-N'-(3-propan-2-yloxypropyl)butanediamide
CID 4554473
5,5-dimethyl-N-(3-propan-2-yloxypropyl)hexanamide
CID 156551412
molecular hydrogen;4-propan-2-yloxy-N-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]butanamide
CID 155739531
7-amino-N-(3-propan-2-yloxypropyl)heptanamide
CID 61275030
2-chloro-N-(4-propan-2-yloxybutyl)acetamide
CID 82109645
N'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)butanediamide
CID 5167473
4-(4-chlorophenoxy)-N-(3-propan-2-yloxypropyl)butanamide
CID 21367640

Frequently Asked Questions

What is the IUPAC name of N-[4-(methylamino)butyl]-4-propan-2-yloxybutanamide?
The IUPAC name of N-[4-(methylamino)butyl]-4-propan-2-yloxybutanamide (CID 162749933) is N-[4-(methylamino)butyl]-4-propan-2-yloxybutanamide.
What is the SMILES notation for N-[4-(methylamino)butyl]-4-propan-2-yloxybutanamide?
The canonical SMILES for N-[4-(methylamino)butyl]-4-propan-2-yloxybutanamide is CNCCCCNC(=O)CCCOC(C)C.
What is the InChIKey of N-[4-(methylamino)butyl]-4-propan-2-yloxybutanamide?
The InChIKey is OGKORUNNOHNXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-11(2)16-10-6-7-12(15)14-9-5-4-8-13-3/h11,13H,4-10H2,1-3H3,(H,14,15).
What are the key properties of N-[4-(methylamino)butyl]-4-propan-2-yloxybutanamide?
N-[4-(methylamino)butyl]-4-propan-2-yloxybutanamide has a molecular weight of 230.35 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-[4-(methylamino)butyl]-4-propan-2-yloxybutanamide is sourced from PubChem (CID 162749933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).