5-(4-aminobutanoylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide

C24H27N3O2 — CID 163231625

IUPAC5-(4-aminobutanoylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
SMILESCc1ccc(NC(=O)CCCN)cc1C(=O)N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C24H27N3O2/c1-16-12-13-19(27-23(28)11-6-14-25)15-22(16)24(29)26-17(2)20-10-5-8-18-7-3-4-9-21(18)20/h3-5,7-10,12-13,15,17H,6,11,14,25H2,1-2H3,(H,26,29)(H,27,28)/t17-/m1/s1
InChIKeyQBVXQOBOTZAMBJ-QGZVFWFLSA-N
MW389.50 g/mol
LogP4.32
Rot. Bonds7

About 5-(4-aminobutanoylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide

5-(4-aminobutanoylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide (PubChem CID 163231625) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 5-(4-aminobutanoylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide.

Molecular Properties

Compound Name5-(4-aminobutanoylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
PubChem CID163231625
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name5-(4-aminobutanoylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
SMILESCc1ccc(NC(=O)CCCN)cc1C(=O)N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C24H27N3O2/c1-16-12-13-19(27-23(28)11-6-14-25)15-22(16)24(29)26-17(2)20-10-5-8-18-7-3-4-9-21(18)20/h3-5,7-10,12-13,15,17H,6,11,14,25H2,1-2H3,(H,26,29)(H,27,28)/t17-/m1/s1
InChIKeyQBVXQOBOTZAMBJ-QGZVFWFLSA-N
XLogP4.32
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(2S)-2,3-diaminopropanoyl]amino]-2-methyl-N-[(1S)-1-naphthalen-1-ylethyl]benzamide
CID 163231879
5-[(2-aminoacetyl)amino]-2-fluoro-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231705
5-(benzylcarbamoylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231845
5-[[(2S)-2-(dimethylamino)-3-hydroxypropanoyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231801
5-[[(2S)-2-amino-3-(methanesulfonamido)propanoyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231684
5-[(5-amino-4-methylthiophen-2-yl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231572
5-[[(2S)-2,3-diacetamidopropanoyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231632
5-[[(2S)-2,3-diaminopropyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide;bis(2,2,2-trifluoroacetic acid)
CID 175710928
5-[(5-aminothiophen-2-yl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231797
2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-phenylbenzamide
CID 165115788
5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231513
5-[(2-amino-2-methylpropyl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide;bis(2,2,2-trifluoroacetic acid)
CID 175710888

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminobutanoylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
The IUPAC name of 5-(4-aminobutanoylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide (CID 163231625) is 5-(4-aminobutanoylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide.
What is the SMILES notation for 5-(4-aminobutanoylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
The canonical SMILES for 5-(4-aminobutanoylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide is Cc1ccc(NC(=O)CCCN)cc1C(=O)N[C@H](C)c1cccc2ccccc12.
What is the InChIKey of 5-(4-aminobutanoylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
The InChIKey is QBVXQOBOTZAMBJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-16-12-13-19(27-23(28)11-6-14-25)15-22(16)24(29)26-17(2)20-10-5-8-18-7-3-4-9-21(18)20/h3-5,7-10,12-13,15,17H,6,11,14,25H2,1-2H3,(H,26,29)(H,27,28)/t17-/m1/s1.
What are the key properties of 5-(4-aminobutanoylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
5-(4-aminobutanoylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide has a molecular weight of 389.50 g/mol, XLogP of 4.32, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminobutanoylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide is sourced from PubChem (CID 163231625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).