N-[6-(1-hydroxybutyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]propanamide

C18H27NO3 — CID 82174742

IUPACN-[6-(1-hydroxybutyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]propanamide
SMILESCCCC(O)c1ccc2c(c1)C(NC(=O)CC)CC(C)(C)O2
InChIInChI=1S/C18H27NO3/c1-5-7-15(20)12-8-9-16-13(10-12)14(19-17(21)6-2)11-18(3,4)22-16/h8-10,14-15,20H,5-7,11H2,1-4H3,(H,19,21)
InChIKeyIKJALICQEWYVMU-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.65
Rot. Bonds5

About N-[6-(1-hydroxybutyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]propanamide

N-[6-(1-hydroxybutyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]propanamide (PubChem CID 82174742) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[6-(1-hydroxybutyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]propanamide.

Molecular Properties

Compound NameN-[6-(1-hydroxybutyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]propanamide
PubChem CID82174742
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC NameN-[6-(1-hydroxybutyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]propanamide
SMILESCCCC(O)c1ccc2c(c1)C(NC(=O)CC)CC(C)(C)O2
InChIInChI=1S/C18H27NO3/c1-5-7-15(20)12-8-9-16-13(10-12)14(19-17(21)6-2)11-18(3,4)22-16/h8-10,14-15,20H,5-7,11H2,1-4H3,(H,19,21)
InChIKeyIKJALICQEWYVMU-UHFFFAOYSA-N
XLogP3.65
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(1-aminopropyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]cyclopropanecarboxamide
CID 82174749
N-[6-(1-amino-2-methylpropyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 82174719
N-[6-(1-hydroxybutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methylpropanamide
CID 82171156
1-propyl-3-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]urea
CID 100748872
2-(3,4-dimethylphenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132651818
2-(4-fluorophenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 133166469
4-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pentanamide;hydrochloride
CID 120563166
1-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-ethylurea
CID 11208334
1-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-propan-2-ylurea
CID 11403735
1-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-propylurea
CID 100748889
2-(2-fluorophenyl)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 100636989
N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-phenylsulfanylacetamide
CID 132653944

Frequently Asked Questions

What is the IUPAC name of N-[6-(1-hydroxybutyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]propanamide?
The IUPAC name of N-[6-(1-hydroxybutyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]propanamide (CID 82174742) is N-[6-(1-hydroxybutyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]propanamide.
What is the SMILES notation for N-[6-(1-hydroxybutyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]propanamide?
The canonical SMILES for N-[6-(1-hydroxybutyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]propanamide is CCCC(O)c1ccc2c(c1)C(NC(=O)CC)CC(C)(C)O2.
What is the InChIKey of N-[6-(1-hydroxybutyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]propanamide?
The InChIKey is IKJALICQEWYVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-5-7-15(20)12-8-9-16-13(10-12)14(19-17(21)6-2)11-18(3,4)22-16/h8-10,14-15,20H,5-7,11H2,1-4H3,(H,19,21).
What are the key properties of N-[6-(1-hydroxybutyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]propanamide?
N-[6-(1-hydroxybutyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]propanamide has a molecular weight of 305.42 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-hydroxybutyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]propanamide is sourced from PubChem (CID 82174742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).