N-[2-[(2-amino-1-naphthalen-2-ylethyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride

C20H28ClN3O2 — CID 120567986

IUPACN-[2-[(2-amino-1-naphthalen-2-ylethyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride
SMILESCC(C)(C)CC(=O)NCC(=O)NC(CN)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C20H27N3O2.ClH/c1-20(2,3)11-18(24)22-13-19(25)23-17(12-21)16-9-8-14-6-4-5-7-15(14)10-16;/h4-10,17H,11-13,21H2,1-3H3,(H,22,24)(H,23,25);1H
InChIKeyKXKZUPGSFVCCSM-UHFFFAOYSA-N
MW377.92 g/mol
LogP2.93
Rot. Bonds6

About N-[2-[(2-amino-1-naphthalen-2-ylethyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride

N-[2-[(2-amino-1-naphthalen-2-ylethyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride (PubChem CID 120567986) has the molecular formula C20H28ClN3O2 and a molecular weight of 377.92 g/mol. Its IUPAC name is N-[2-[(2-amino-1-naphthalen-2-ylethyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(2-amino-1-naphthalen-2-ylethyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride
PubChem CID120567986
Molecular FormulaC20H28ClN3O2
Molecular Weight377.92 g/mol
Exact Mass377.19
IUPAC NameN-[2-[(2-amino-1-naphthalen-2-ylethyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride
SMILESCC(C)(C)CC(=O)NCC(=O)NC(CN)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C20H27N3O2.ClH/c1-20(2,3)11-18(24)22-13-19(25)23-17(12-21)16-9-8-14-6-4-5-7-15(14)10-16;/h4-10,17H,11-13,21H2,1-3H3,(H,22,24)(H,23,25);1H
InChIKeyKXKZUPGSFVCCSM-UHFFFAOYSA-N
XLogP2.93
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.92
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[2-[(2-amino-1-naphthalen-2-ylethyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride with MolForge

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Related Compounds

3-amino-N-(2-amino-1-naphthalen-2-ylethyl)propanamide
CID 122081221
N-(2-amino-1-naphthalen-2-ylethyl)-3-methylbutanamide
CID 120567667
N-(2-amino-1-naphthalen-2-ylethyl)-2-(methanesulfonamido)-2-methylpropanamide;hydrochloride
CID 120597706
N-(2-amino-1-naphthalen-2-ylethyl)-4-methylsulfanylbutanamide;hydrochloride
CID 120567970
N-(2-amino-1-naphthalen-2-ylethyl)-2-(2-ethoxyethylsulfonylamino)acetamide;hydrochloride
CID 120567612
3-acetamido-N-(2-amino-1-naphthalen-2-ylethyl)-3-(4-methylphenyl)propanamide;hydrochloride
CID 120567798
3-acetamido-N-(2-amino-1-naphthalen-2-ylethyl)-3-(4-methylphenyl)propanamide
CID 120567799
N-(2-amino-1-naphthalen-2-ylethyl)-2-methyl-2-thiophen-2-ylpropanamide
CID 120597719
N-(2-amino-1-naphthalen-2-ylethyl)-2-prop-2-enylpent-4-enamide;hydrochloride
CID 120567542
N-(2-amino-1-naphthalen-2-ylethyl)-2-(methanesulfonamido)propanamide;hydrochloride
CID 120567726
N-(2-amino-1-naphthalen-2-ylethyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 120567791
N-(2-amino-1-naphthalen-2-ylethyl)-2-(oxolan-2-yl)acetamide;hydrochloride
CID 120567600

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-amino-1-naphthalen-2-ylethyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride?
The IUPAC name of N-[2-[(2-amino-1-naphthalen-2-ylethyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride (CID 120567986) is N-[2-[(2-amino-1-naphthalen-2-ylethyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride.
What is the SMILES notation for N-[2-[(2-amino-1-naphthalen-2-ylethyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride?
The canonical SMILES for N-[2-[(2-amino-1-naphthalen-2-ylethyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride is CC(C)(C)CC(=O)NCC(=O)NC(CN)c1ccc2ccccc2c1.Cl.
What is the InChIKey of N-[2-[(2-amino-1-naphthalen-2-ylethyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride?
The InChIKey is KXKZUPGSFVCCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2.ClH/c1-20(2,3)11-18(24)22-13-19(25)23-17(12-21)16-9-8-14-6-4-5-7-15(14)10-16;/h4-10,17H,11-13,21H2,1-3H3,(H,22,24)(H,23,25);1H.
What are the key properties of N-[2-[(2-amino-1-naphthalen-2-ylethyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride?
N-[2-[(2-amino-1-naphthalen-2-ylethyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride has a molecular weight of 377.92 g/mol, XLogP of 2.93, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-amino-1-naphthalen-2-ylethyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride is sourced from PubChem (CID 120567986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).