7-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]heptanamide

C19H31N3O2 — CID 119890381

IUPAC7-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]heptanamide
SMILESCc1ccc(CN2CCOCC2)cc1NC(=O)CCCCCCN
InChIInChI=1S/C19H31N3O2/c1-16-7-8-17(15-22-10-12-24-13-11-22)14-18(16)21-19(23)6-4-2-3-5-9-20/h7-8,14H,2-6,9-13,15,20H2,1H3,(H,21,23)
InChIKeyWXALHDDROBTNKR-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.67
Rot. Bonds9

About 7-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]heptanamide

7-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]heptanamide (PubChem CID 119890381) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 7-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]heptanamide
PubChem CID119890381
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name7-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]heptanamide
SMILESCc1ccc(CN2CCOCC2)cc1NC(=O)CCCCCCN
InChIInChI=1S/C19H31N3O2/c1-16-7-8-17(15-22-10-12-24-13-11-22)14-18(16)21-19(23)6-4-2-3-5-9-20/h7-8,14H,2-6,9-13,15,20H2,1H3,(H,21,23)
InChIKeyWXALHDDROBTNKR-UHFFFAOYSA-N
XLogP2.67
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.67
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

4-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]butanamide;dihydrochloride
CID 119890424
4-amino-N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]butanamide
CID 119869979
4-amino-3-methoxy-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]butanamide
CID 120597087
2-(2-methoxyethylamino)-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride
CID 119890420
2-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]pentanamide
CID 119890389
7-amino-N-(5-amino-2-methylphenyl)heptanamide
CID 122081266
3-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]benzamide
CID 119890407
N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119890419
N-[4-(morpholin-4-ylmethyl)phenyl]octadecanamide
CID 108730937
1-(5-chloro-2-methylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea
CID 17149169
3-amino-2-methyl-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-3-phenylpropanamide
CID 119890395
N-(2-aminophenyl)-8-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-8-oxooctanamide
CID 58982108

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]heptanamide?
The IUPAC name of 7-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]heptanamide (CID 119890381) is 7-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]heptanamide.
What is the SMILES notation for 7-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]heptanamide?
The canonical SMILES for 7-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]heptanamide is Cc1ccc(CN2CCOCC2)cc1NC(=O)CCCCCCN.
What is the InChIKey of 7-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]heptanamide?
The InChIKey is WXALHDDROBTNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-16-7-8-17(15-22-10-12-24-13-11-22)14-18(16)21-19(23)6-4-2-3-5-9-20/h7-8,14H,2-6,9-13,15,20H2,1H3,(H,21,23).
What are the key properties of 7-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]heptanamide?
7-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]heptanamide has a molecular weight of 333.48 g/mol, XLogP of 2.67, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]heptanamide is sourced from PubChem (CID 119890381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).