4-(propan-2-ylamino)-N-(2-propoxyphenyl)butanamide

C16H26N2O2 — CID 60851317

IUPAC4-(propan-2-ylamino)-N-(2-propoxyphenyl)butanamide
SMILESCCCOc1ccccc1NC(=O)CCCNC(C)C
InChIInChI=1S/C16H26N2O2/c1-4-12-20-15-9-6-5-8-14(15)18-16(19)10-7-11-17-13(2)3/h5-6,8-9,13,17H,4,7,10-12H2,1-3H3,(H,18,19)
InChIKeyFUJPNRFDLWHPGC-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.19
Rot. Bonds9

About 4-(propan-2-ylamino)-N-(2-propoxyphenyl)butanamide

4-(propan-2-ylamino)-N-(2-propoxyphenyl)butanamide (PubChem CID 60851317) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-(propan-2-ylamino)-N-(2-propoxyphenyl)butanamide.

Molecular Properties

Compound Name4-(propan-2-ylamino)-N-(2-propoxyphenyl)butanamide
PubChem CID60851317
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name4-(propan-2-ylamino)-N-(2-propoxyphenyl)butanamide
SMILESCCCOc1ccccc1NC(=O)CCCNC(C)C
InChIInChI=1S/C16H26N2O2/c1-4-12-20-15-9-6-5-8-14(15)18-16(19)10-7-11-17-13(2)3/h5-6,8-9,13,17H,4,7,10-12H2,1-3H3,(H,18,19)
InChIKeyFUJPNRFDLWHPGC-UHFFFAOYSA-N
XLogP3.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.19
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-chloro-N-(2-propoxyphenyl)pentanamide
CID 43697480
N,N'-bis(2-butoxyphenyl)hexanediamide
CID 17087317
N-(2-butoxyphenyl)-2-(propan-2-ylamino)acetamide
CID 54817835
3-amino-N-(2-propoxyphenyl)propanamide;hydrochloride
CID 119268305
N-(2-butoxyphenyl)tetradecanamide
CID 54789601
4-(2-ethoxyphenoxy)-N-(2-ethoxyphenyl)butanamide
CID 7935064
N'-[(1R)-1-phenylethyl]-N-(2-propoxyphenyl)butanediamide
CID 97098873
14-(2-butoxyanilino)-14-oxotetradecanoic acid
CID 57100527
3-(cyclopropylamino)-N-(2-propoxyphenyl)propanamide
CID 54925076
3-(furan-2-yl)-N-(2-propoxyphenyl)propanamide
CID 78772786
N-(2-butoxyphenyl)-3-methylbutanamide
CID 19204184
N-[2-(hydroxymethyl)phenyl]-4-(propan-2-ylamino)butanamide
CID 60850282

Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-ylamino)-N-(2-propoxyphenyl)butanamide?
The IUPAC name of 4-(propan-2-ylamino)-N-(2-propoxyphenyl)butanamide (CID 60851317) is 4-(propan-2-ylamino)-N-(2-propoxyphenyl)butanamide.
What is the SMILES notation for 4-(propan-2-ylamino)-N-(2-propoxyphenyl)butanamide?
The canonical SMILES for 4-(propan-2-ylamino)-N-(2-propoxyphenyl)butanamide is CCCOc1ccccc1NC(=O)CCCNC(C)C.
What is the InChIKey of 4-(propan-2-ylamino)-N-(2-propoxyphenyl)butanamide?
The InChIKey is FUJPNRFDLWHPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-12-20-15-9-6-5-8-14(15)18-16(19)10-7-11-17-13(2)3/h5-6,8-9,13,17H,4,7,10-12H2,1-3H3,(H,18,19).
What are the key properties of 4-(propan-2-ylamino)-N-(2-propoxyphenyl)butanamide?
4-(propan-2-ylamino)-N-(2-propoxyphenyl)butanamide has a molecular weight of 278.40 g/mol, XLogP of 3.19, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylamino)-N-(2-propoxyphenyl)butanamide is sourced from PubChem (CID 60851317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).