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

C28H27N3O2 — CID 163231845

IUPAC5-(benzylcarbamoylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
SMILESCc1ccc(NC(=O)NCc2ccccc2)cc1C(=O)N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C28H27N3O2/c1-19-15-16-23(31-28(33)29-18-21-9-4-3-5-10-21)17-26(19)27(32)30-20(2)24-14-8-12-22-11-6-7-13-25(22)24/h3-17,20H,18H2,1-2H3,(H,30,32)(H2,29,31,33)/t20-/m1/s1
InChIKeyAGCLPBIMUUZZMJ-HXUWFJFHSA-N
MW437.54 g/mol
LogP5.96
Rot. Bonds6

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

5-(benzylcarbamoylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide (PubChem CID 163231845) has the molecular formula C28H27N3O2 and a molecular weight of 437.54 g/mol. Its IUPAC name is 5-(benzylcarbamoylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide.

Molecular Properties

Compound Name5-(benzylcarbamoylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
PubChem CID163231845
Molecular FormulaC28H27N3O2
Molecular Weight437.54 g/mol
Exact Mass437.21
IUPAC Name5-(benzylcarbamoylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
SMILESCc1ccc(NC(=O)NCc2ccccc2)cc1C(=O)N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C28H27N3O2/c1-19-15-16-23(31-28(33)29-18-21-9-4-3-5-10-21)17-26(19)27(32)30-20(2)24-14-8-12-22-11-6-7-13-25(22)24/h3-17,20H,18H2,1-2H3,(H,30,32)(H2,29,31,33)/t20-/m1/s1
InChIKeyAGCLPBIMUUZZMJ-HXUWFJFHSA-N
XLogP5.96
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.54
LogP ≤ 55.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[(2S)-2,3-diaminopropanoyl]amino]-2-methyl-N-[(1S)-1-naphthalen-1-ylethyl]benzamide
CID 163231879
5-(4-aminobutanoylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231625
5-[[(2S)-2,3-diacetamidopropanoyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231632
2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-phenylbenzamide
CID 165115788
5-[[(2S)-2-(dimethylamino)-3-hydroxypropanoyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231801
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
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
(2R)-1-methyl-N-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]piperidine-2-carboxamide
CID 163231794
5-[[(2S)-2,3-diaminopropyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide;bis(2,2,2-trifluoroacetic acid)
CID 175710928
5-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231662

Frequently Asked Questions

What is the IUPAC name of 5-(benzylcarbamoylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
The IUPAC name of 5-(benzylcarbamoylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide (CID 163231845) is 5-(benzylcarbamoylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide.
What is the SMILES notation for 5-(benzylcarbamoylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
The canonical SMILES for 5-(benzylcarbamoylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide is Cc1ccc(NC(=O)NCc2ccccc2)cc1C(=O)N[C@H](C)c1cccc2ccccc12.
What is the InChIKey of 5-(benzylcarbamoylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
The InChIKey is AGCLPBIMUUZZMJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C28H27N3O2/c1-19-15-16-23(31-28(33)29-18-21-9-4-3-5-10-21)17-26(19)27(32)30-20(2)24-14-8-12-22-11-6-7-13-25(22)24/h3-17,20H,18H2,1-2H3,(H,30,32)(H2,29,31,33)/t20-/m1/s1.
What are the key properties of 5-(benzylcarbamoylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
5-(benzylcarbamoylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide has a molecular weight of 437.54 g/mol, XLogP of 5.96, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylcarbamoylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide is sourced from PubChem (CID 163231845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).