7-amino-N-benzyl-N-(2-morpholin-4-ylethoxy)heptanamide

C20H33N3O3 — CID 72735598

IUPAC7-amino-N-benzyl-N-(2-morpholin-4-ylethoxy)heptanamide
SMILESNCCCCCCC(=O)N(Cc1ccccc1)OCCN1CCOCC1
InChIInChI=1S/C20H33N3O3/c21-11-7-2-1-6-10-20(24)23(18-19-8-4-3-5-9-19)26-17-14-22-12-15-25-16-13-22/h3-5,8-9H,1-2,6-7,10-18,21H2
InChIKeyRRHZKPQRSFSQSU-UHFFFAOYSA-N
MW363.50 g/mol
LogP2.19
Rot. Bonds12

About 7-amino-N-benzyl-N-(2-morpholin-4-ylethoxy)heptanamide

7-amino-N-benzyl-N-(2-morpholin-4-ylethoxy)heptanamide (PubChem CID 72735598) has the molecular formula C20H33N3O3 and a molecular weight of 363.50 g/mol. Its IUPAC name is 7-amino-N-benzyl-N-(2-morpholin-4-ylethoxy)heptanamide.

Molecular Properties

Compound Name7-amino-N-benzyl-N-(2-morpholin-4-ylethoxy)heptanamide
PubChem CID72735598
Molecular FormulaC20H33N3O3
Molecular Weight363.50 g/mol
Exact Mass363.25
IUPAC Name7-amino-N-benzyl-N-(2-morpholin-4-ylethoxy)heptanamide
SMILESNCCCCCCC(=O)N(Cc1ccccc1)OCCN1CCOCC1
InChIInChI=1S/C20H33N3O3/c21-11-7-2-1-6-10-20(24)23(18-19-8-4-3-5-9-19)26-17-14-22-12-15-25-16-13-22/h3-5,8-9H,1-2,6-7,10-18,21H2
InChIKeyRRHZKPQRSFSQSU-UHFFFAOYSA-N
XLogP2.19
TPSA68.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[8-[benzyl(2-morpholin-4-ylethoxy)amino]-8-oxooctyl]carbamate
CID 89167460
N'-benzyl-N'-(2-morpholin-4-ylethyl)propane-1,3-diamine
CID 107367226
2-morpholin-4-ylethyl 2-phenylacetate
CID 797103
2-morpholin-4-ylethyl 2-phenylacetate;hydrate;hydrochloride
CID 23622530
1-(2-morpholin-4-ylethyl)-1-phenylmethoxyurea
CID 57165154
N-benzyl-3-morpholin-4-yl-N-propan-2-ylpropanamide
CID 110688462
6-amino-N-benzyl-N-cyclopropylhexanamide
CID 43579228
2-morpholin-4-ylethyl N-carbamoyl-N-phenylcarbamate
CID 23202915
N-(3-aminopropyl)-N-benzyl-4-morpholin-4-yl-4-oxobutanamide
CID 120649496
7-morpholin-4-ylheptan-1-amine
CID 28596900
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)octanamide
CID 3897940
N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)nonanamide
CID 3880529

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-benzyl-N-(2-morpholin-4-ylethoxy)heptanamide?
The IUPAC name of 7-amino-N-benzyl-N-(2-morpholin-4-ylethoxy)heptanamide (CID 72735598) is 7-amino-N-benzyl-N-(2-morpholin-4-ylethoxy)heptanamide.
What is the SMILES notation for 7-amino-N-benzyl-N-(2-morpholin-4-ylethoxy)heptanamide?
The canonical SMILES for 7-amino-N-benzyl-N-(2-morpholin-4-ylethoxy)heptanamide is NCCCCCCC(=O)N(Cc1ccccc1)OCCN1CCOCC1.
What is the InChIKey of 7-amino-N-benzyl-N-(2-morpholin-4-ylethoxy)heptanamide?
The InChIKey is RRHZKPQRSFSQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3/c21-11-7-2-1-6-10-20(24)23(18-19-8-4-3-5-9-19)26-17-14-22-12-15-25-16-13-22/h3-5,8-9H,1-2,6-7,10-18,21H2.
What are the key properties of 7-amino-N-benzyl-N-(2-morpholin-4-ylethoxy)heptanamide?
7-amino-N-benzyl-N-(2-morpholin-4-ylethoxy)heptanamide has a molecular weight of 363.50 g/mol, XLogP of 2.19, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-benzyl-N-(2-morpholin-4-ylethoxy)heptanamide is sourced from PubChem (CID 72735598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).