7-amino-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]heptanamide

C19H30N2O3 — CID 119743232

IUPAC7-amino-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]heptanamide
SMILESCc1ccc(NC(=O)CCCCCCN)c(OCC2CCCO2)c1
InChIInChI=1S/C19H30N2O3/c1-15-9-10-17(21-19(22)8-4-2-3-5-11-20)18(13-15)24-14-16-7-6-12-23-16/h9-10,13,16H,2-8,11-12,14,20H2,1H3,(H,21,22)
InChIKeyXSIQTWWDHLDDNT-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.40
Rot. Bonds10

About 7-amino-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]heptanamide

7-amino-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]heptanamide (PubChem CID 119743232) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 7-amino-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]heptanamide
PubChem CID119743232
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name7-amino-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]heptanamide
SMILESCc1ccc(NC(=O)CCCCCCN)c(OCC2CCCO2)c1
InChIInChI=1S/C19H30N2O3/c1-15-9-10-17(21-19(22)8-4-2-3-5-11-20)18(13-15)24-14-16-7-6-12-23-16/h9-10,13,16H,2-8,11-12,14,20H2,1H3,(H,21,22)
InChIKeyXSIQTWWDHLDDNT-UHFFFAOYSA-N
XLogP3.40
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-[2-(oxan-2-ylmethoxy)phenyl]heptanamide;hydrochloride
CID 119747593
3-methyl-N-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]butanamide
CID 94621924
4-(aminomethyl)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 119300251
3-(3-fluorophenyl)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]propanamide
CID 60574673
4-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]butanamide;hydrochloride
CID 119300240
4-amino-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]butanamide;hydrochloride
CID 119321173
1-methyl-3-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95259007
3-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide
CID 119339663
6-methyl-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]pyridine-3-carboxamide
CID 60574803
5-[[4-methyl-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]furan-2-carboxylic acid
CID 129466833
N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-2-(9-oxoacridin-10-yl)acetamide
CID 60574719
N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-4-methylsulfonylbenzamide
CID 166192418

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]heptanamide?
The IUPAC name of 7-amino-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]heptanamide (CID 119743232) is 7-amino-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]heptanamide.
What is the SMILES notation for 7-amino-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]heptanamide?
The canonical SMILES for 7-amino-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]heptanamide is Cc1ccc(NC(=O)CCCCCCN)c(OCC2CCCO2)c1.
What is the InChIKey of 7-amino-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]heptanamide?
The InChIKey is XSIQTWWDHLDDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-15-9-10-17(21-19(22)8-4-2-3-5-11-20)18(13-15)24-14-16-7-6-12-23-16/h9-10,13,16H,2-8,11-12,14,20H2,1H3,(H,21,22).
What are the key properties of 7-amino-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]heptanamide?
7-amino-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]heptanamide has a molecular weight of 334.46 g/mol, XLogP of 3.40, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]heptanamide is sourced from PubChem (CID 119743232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).