N-ethyl-3-(3-methoxybutan-2-ylamino)-2,2-dimethylpropanamide

C12H26N2O2 — CID 115922435

IUPACN-ethyl-3-(3-methoxybutan-2-ylamino)-2,2-dimethylpropanamide
SMILESCCNC(=O)C(C)(C)CNC(C)C(C)OC
InChIInChI=1S/C12H26N2O2/c1-7-13-11(15)12(4,5)8-14-9(2)10(3)16-6/h9-10,14H,7-8H2,1-6H3,(H,13,15)
InChIKeyKKLNOSASQCYHIK-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.16
Rot. Bonds7

About N-ethyl-3-(3-methoxybutan-2-ylamino)-2,2-dimethylpropanamide

N-ethyl-3-(3-methoxybutan-2-ylamino)-2,2-dimethylpropanamide (PubChem CID 115922435) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-ethyl-3-(3-methoxybutan-2-ylamino)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-ethyl-3-(3-methoxybutan-2-ylamino)-2,2-dimethylpropanamide
PubChem CID115922435
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC NameN-ethyl-3-(3-methoxybutan-2-ylamino)-2,2-dimethylpropanamide
SMILESCCNC(=O)C(C)(C)CNC(C)C(C)OC
InChIInChI=1S/C12H26N2O2/c1-7-13-11(15)12(4,5)8-14-9(2)10(3)16-6/h9-10,14H,7-8H2,1-6H3,(H,13,15)
InChIKeyKKLNOSASQCYHIK-UHFFFAOYSA-N
XLogP1.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxybutan-2-ylamino)-2-methylpropan-2-ol
CID 115718655
4-[(3-methoxybutan-2-ylamino)methyl]heptan-4-ol
CID 115722247
N-(3-methoxybutan-2-yl)-3-methylpentan-3-amine
CID 115920365
N,2-diethyl-3-methyl-2-propan-2-ylbutanamide
CID 141274919
N,2,2-triethyl-3-methylbutanamide
CID 3016601
methyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-methylbutanoate
CID 106276355
N-[3-(ethylamino)-2,2-dimethyl-3-oxopropyl]cyclopropanecarboxamide
CID 71845564
2-(3-methoxybutan-2-ylamino)-N-methylacetamide
CID 115706830
tert-butyl N-[1-(3-methoxybutan-2-ylamino)butan-2-yl]carbamate
CID 107250414
N-[(2R)-2-(ethylamino)propyl]-2,2-dimethylbutanamide
CID 120653493
ethane;N-ethyl-2,2-dimethylpropanamide
CID 142466715
N-(3-methoxybutan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904336

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3-methoxybutan-2-ylamino)-2,2-dimethylpropanamide?
The IUPAC name of N-ethyl-3-(3-methoxybutan-2-ylamino)-2,2-dimethylpropanamide (CID 115922435) is N-ethyl-3-(3-methoxybutan-2-ylamino)-2,2-dimethylpropanamide.
What is the SMILES notation for N-ethyl-3-(3-methoxybutan-2-ylamino)-2,2-dimethylpropanamide?
The canonical SMILES for N-ethyl-3-(3-methoxybutan-2-ylamino)-2,2-dimethylpropanamide is CCNC(=O)C(C)(C)CNC(C)C(C)OC.
What is the InChIKey of N-ethyl-3-(3-methoxybutan-2-ylamino)-2,2-dimethylpropanamide?
The InChIKey is KKLNOSASQCYHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-7-13-11(15)12(4,5)8-14-9(2)10(3)16-6/h9-10,14H,7-8H2,1-6H3,(H,13,15).
What are the key properties of N-ethyl-3-(3-methoxybutan-2-ylamino)-2,2-dimethylpropanamide?
N-ethyl-3-(3-methoxybutan-2-ylamino)-2,2-dimethylpropanamide has a molecular weight of 230.35 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3-methoxybutan-2-ylamino)-2,2-dimethylpropanamide is sourced from PubChem (CID 115922435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).