N-(3-aminopropyl)-N-benzyl-3-(oxan-4-yloxy)propanamide

C18H28N2O3 — CID 120648101

IUPACN-(3-aminopropyl)-N-benzyl-3-(oxan-4-yloxy)propanamide
SMILESNCCCN(Cc1ccccc1)C(=O)CCOC1CCOCC1
InChIInChI=1S/C18H28N2O3/c19-10-4-11-20(15-16-5-2-1-3-6-16)18(21)9-14-23-17-7-12-22-13-8-17/h1-3,5-6,17H,4,7-15,19H2
InChIKeyBRDXNYDYDYPLPB-UHFFFAOYSA-N
MW320.43 g/mol
LogP1.95
Rot. Bonds9

About N-(3-aminopropyl)-N-benzyl-3-(oxan-4-yloxy)propanamide

N-(3-aminopropyl)-N-benzyl-3-(oxan-4-yloxy)propanamide (PubChem CID 120648101) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-3-(oxan-4-yloxy)propanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-3-(oxan-4-yloxy)propanamide
PubChem CID120648101
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-(3-aminopropyl)-N-benzyl-3-(oxan-4-yloxy)propanamide
SMILESNCCCN(Cc1ccccc1)C(=O)CCOC1CCOCC1
InChIInChI=1S/C18H28N2O3/c19-10-4-11-20(15-16-5-2-1-3-6-16)18(21)9-14-23-17-7-12-22-13-8-17/h1-3,5-6,17H,4,7-15,19H2
InChIKeyBRDXNYDYDYPLPB-UHFFFAOYSA-N
XLogP1.95
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-N-benzyl-2-(oxan-4-yl)acetamide;hydrochloride
CID 120649694
N-(3-aminopropyl)-N-benzyloxane-4-carboxamide
CID 107366082
N-(3-aminopropyl)-N-benzyl-4-morpholin-4-yl-4-oxobutanamide
CID 120649496
N-(3-aminopropyl)-N-benzylhexanamide
CID 107366146
N-[4-[3-aminopropyl(benzyl)amino]-4-oxobutyl]cyclopropanecarboxamide
CID 120649533
3-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide;hydrochloride
CID 119302483
2-[(3,5-dimethoxyphenyl)methyl-[3-(oxan-4-yloxy)propanoyl]amino]acetic acid
CID 120518117
4-amino-N-benzyl-N-propylbutanamide
CID 43588666
N-(3-aminopropyl)-N-benzyl-2-methylsulfanylacetamide
CID 107366128
N-(3-aminopropyl)-N-benzyl-4-thiophen-2-ylbutanamide;hydrochloride
CID 120649485
N-(3-aminopropyl)-N-benzyl-2-(1-morpholin-4-ylcyclopentyl)acetamide
CID 120649063
N-(3-aminopropyl)-N-benzyl-2-phenoxyacetamide;hydrochloride
CID 120649017

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-3-(oxan-4-yloxy)propanamide?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-3-(oxan-4-yloxy)propanamide (CID 120648101) is N-(3-aminopropyl)-N-benzyl-3-(oxan-4-yloxy)propanamide.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-3-(oxan-4-yloxy)propanamide?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-3-(oxan-4-yloxy)propanamide is NCCCN(Cc1ccccc1)C(=O)CCOC1CCOCC1.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-3-(oxan-4-yloxy)propanamide?
The InChIKey is BRDXNYDYDYPLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c19-10-4-11-20(15-16-5-2-1-3-6-16)18(21)9-14-23-17-7-12-22-13-8-17/h1-3,5-6,17H,4,7-15,19H2.
What are the key properties of N-(3-aminopropyl)-N-benzyl-3-(oxan-4-yloxy)propanamide?
N-(3-aminopropyl)-N-benzyl-3-(oxan-4-yloxy)propanamide has a molecular weight of 320.43 g/mol, XLogP of 1.95, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-3-(oxan-4-yloxy)propanamide is sourced from PubChem (CID 120648101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).