2-butoxy-N-phenyldodecanamide

C22H37NO2 — CID 70626065

IUPAC2-butoxy-N-phenyldodecanamide
SMILESCCCCCCCCCCC(OCCCC)C(=O)Nc1ccccc1
InChIInChI=1S/C22H37NO2/c1-3-5-7-8-9-10-11-15-18-21(25-19-6-4-2)22(24)23-20-16-13-12-14-17-20/h12-14,16-17,21H,3-11,15,18-19H2,1-2H3,(H,23,24)
InChIKeyQAKDEKFDNYREEC-UHFFFAOYSA-N
MW347.54 g/mol
LogP6.34
Rot. Bonds15

About 2-butoxy-N-phenyldodecanamide

2-butoxy-N-phenyldodecanamide (PubChem CID 70626065) has the molecular formula C22H37NO2 and a molecular weight of 347.54 g/mol. Its IUPAC name is 2-butoxy-N-phenyldodecanamide.

Molecular Properties

Compound Name2-butoxy-N-phenyldodecanamide
PubChem CID70626065
Molecular FormulaC22H37NO2
Molecular Weight347.54 g/mol
Exact Mass347.28
IUPAC Name2-butoxy-N-phenyldodecanamide
SMILESCCCCCCCCCCC(OCCCC)C(=O)Nc1ccccc1
InChIInChI=1S/C22H37NO2/c1-3-5-7-8-9-10-11-15-18-21(25-19-6-4-2)22(24)23-20-16-13-12-14-17-20/h12-14,16-17,21H,3-11,15,18-19H2,1-2H3,(H,23,24)
InChIKeyQAKDEKFDNYREEC-UHFFFAOYSA-N
XLogP6.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.54
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-phenoxy-N-phenylhexanamide
CID 70624716
(1-anilino-1-oxohexan-2-yl) acetate
CID 134107020
2-nonoxy-3-oxo-N-phenylbutanamide
CID 20558460
(1-anilino-1-oxohexan-2-yl) carbamate
CID 175484349
N-(2-phenylethyl)-2-propoxydecanamide
CID 54427884
2-butoxy-N-pentyldecanamide
CID 54280474
2,4-dihydroxy-N-phenyldodecanamide
CID 91612582
(2R)-2-methoxy-N-phenylpentanamide
CID 70193042
2-tert-butyl-N-phenylheptanamide
CID 67683128
methyl 9-anilino-8-methoxy-9-oxononanoate
CID 59316213
2-benzoyl-N-phenylheptanamide
CID 87965233
methyl (7S)-8-anilino-7-[(4-methoxyphenyl)methoxy]-8-oxooctanoate
CID 68698621

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-phenyldodecanamide?
The IUPAC name of 2-butoxy-N-phenyldodecanamide (CID 70626065) is 2-butoxy-N-phenyldodecanamide.
What is the SMILES notation for 2-butoxy-N-phenyldodecanamide?
The canonical SMILES for 2-butoxy-N-phenyldodecanamide is CCCCCCCCCCC(OCCCC)C(=O)Nc1ccccc1.
What is the InChIKey of 2-butoxy-N-phenyldodecanamide?
The InChIKey is QAKDEKFDNYREEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37NO2/c1-3-5-7-8-9-10-11-15-18-21(25-19-6-4-2)22(24)23-20-16-13-12-14-17-20/h12-14,16-17,21H,3-11,15,18-19H2,1-2H3,(H,23,24).
What are the key properties of 2-butoxy-N-phenyldodecanamide?
2-butoxy-N-phenyldodecanamide has a molecular weight of 347.54 g/mol, XLogP of 6.34, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-phenyldodecanamide is sourced from PubChem (CID 70626065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).