(2S)-2-butoxy-N-methoxy-N-methylpropanamide

C9H19NO3 — CID 172508606

IUPAC(2S)-2-butoxy-N-methoxy-N-methylpropanamide
SMILESCCCCO[C@@H](C)C(=O)N(C)OC
InChIInChI=1S/C9H19NO3/c1-5-6-7-13-8(2)9(11)10(3)12-4/h8H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyYCKBXOADIBMFNE-QMMMGPOBSA-N
MW189.25 g/mol
LogP1.21
Rot. Bonds6

About (2S)-2-butoxy-N-methoxy-N-methylpropanamide

(2S)-2-butoxy-N-methoxy-N-methylpropanamide (PubChem CID 172508606) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is (2S)-2-butoxy-N-methoxy-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-butoxy-N-methoxy-N-methylpropanamide
PubChem CID172508606
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name(2S)-2-butoxy-N-methoxy-N-methylpropanamide
SMILESCCCCO[C@@H](C)C(=O)N(C)OC
InChIInChI=1S/C9H19NO3/c1-5-6-7-13-8(2)9(11)10(3)12-4/h8H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyYCKBXOADIBMFNE-QMMMGPOBSA-N
XLogP1.21
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-butoxypropanoyl(2-methylpropyl)amino]acetic acid
CID 119193010
sodium 2-butoxypropanoate
CID 141029680
(2S)-N-methoxy-2-[(4-methoxyphenyl)methoxy]-N-methylpropanamide
CID 11425295
1,1,3,3-tetrabutoxypropan-2-one
CID 546234
3-pentoxybutan-2-one
CID 43801294
2-pentoxypropanamide
CID 62900296
methyl (2S)-2-hexoxypropanoate
CID 103337819
methyl 2-dodecoxypropanoate
CID 86244254
2-butoxy-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 48652357
(2S)-2-heptoxypropanoic acid
CID 22301798
methyl (2R)-2-(2-butoxyethoxy)propanoate
CID 103337806
tert-butyl 2-heptoxypropanoate
CID 66337184

Frequently Asked Questions

What is the IUPAC name of (2S)-2-butoxy-N-methoxy-N-methylpropanamide?
The IUPAC name of (2S)-2-butoxy-N-methoxy-N-methylpropanamide (CID 172508606) is (2S)-2-butoxy-N-methoxy-N-methylpropanamide.
What is the SMILES notation for (2S)-2-butoxy-N-methoxy-N-methylpropanamide?
The canonical SMILES for (2S)-2-butoxy-N-methoxy-N-methylpropanamide is CCCCO[C@@H](C)C(=O)N(C)OC.
What is the InChIKey of (2S)-2-butoxy-N-methoxy-N-methylpropanamide?
The InChIKey is YCKBXOADIBMFNE-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H19NO3/c1-5-6-7-13-8(2)9(11)10(3)12-4/h8H,5-7H2,1-4H3/t8-/m0/s1.
What are the key properties of (2S)-2-butoxy-N-methoxy-N-methylpropanamide?
(2S)-2-butoxy-N-methoxy-N-methylpropanamide has a molecular weight of 189.25 g/mol, XLogP of 1.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-butoxy-N-methoxy-N-methylpropanamide is sourced from PubChem (CID 172508606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).