2-amino-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride

C19H24ClN3O3 — CID 120791541

IUPAC2-amino-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCl.NC(C(=O)NCC(=O)Nc1cccc2ccccc12)C1CCOCC1
InChIInChI=1S/C19H23N3O3.ClH/c20-18(14-8-10-25-11-9-14)19(24)21-12-17(23)22-16-7-3-5-13-4-1-2-6-15(13)16;/h1-7,14,18H,8-12,20H2,(H,21,24)(H,22,23);1H
InChIKeyRKZAFDCITFYWES-UHFFFAOYSA-N
MW377.87 g/mol
LogP2.07
Rot. Bonds5

About 2-amino-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride

2-amino-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120791541) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is 2-amino-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120791541
Molecular FormulaC19H24ClN3O3
Molecular Weight377.87 g/mol
Exact Mass377.15
IUPAC Name2-amino-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCl.NC(C(=O)NCC(=O)Nc1cccc2ccccc12)C1CCOCC1
InChIInChI=1S/C19H23N3O3.ClH/c20-18(14-8-10-25-11-9-14)19(24)21-12-17(23)22-16-7-3-5-13-4-1-2-6-15(13)16;/h1-7,14,18H,8-12,20H2,(H,21,24)(H,22,23);1H
InChIKeyRKZAFDCITFYWES-UHFFFAOYSA-N
XLogP2.07
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(naphthalen-1-ylmethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786171
2-amino-N-[2-(4-bromoanilino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120788785
2-amino-N-benzyl-2-(oxan-4-yl)acetamide
CID 120782611
2-amino-N-(1-naphthalen-1-ylethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784151
2-amino-3-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]pentanamide;hydrochloride
CID 119767808
2-chloro-2-fluoro-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide
CID 167890403
2-amino-N-(3,3-diphenylpropyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783183
2-amino-N-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785705
2-amino-N-[2-methyl-3-(methylsulfamoyl)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120796053
2-(cyclopropylmethylamino)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide
CID 119767799
2-amino-N-(2,3-difluorophenyl)-2-(oxan-4-yl)acetamide
CID 120785988
2-amino-N-[2-(2,6-dichlorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120789587

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride (CID 120791541) is 2-amino-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride is Cl.NC(C(=O)NCC(=O)Nc1cccc2ccccc12)C1CCOCC1.
What is the InChIKey of 2-amino-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is RKZAFDCITFYWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3.ClH/c20-18(14-8-10-25-11-9-14)19(24)21-12-17(23)22-16-7-3-5-13-4-1-2-6-15(13)16;/h1-7,14,18H,8-12,20H2,(H,21,24)(H,22,23);1H.
What are the key properties of 2-amino-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride?
2-amino-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 377.87 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120791541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).