N-[2-methyl-4-[[3-methyl-4-(naphthalene-1-carbonylamino)phenyl]methyl]phenyl]naphthalene-1-carboxamide

C37H30N2O2 — CID 2179862

IUPACN-[2-methyl-4-[[3-methyl-4-(naphthalene-1-carbonylamino)phenyl]methyl]phenyl]naphthalene-1-carboxamide
SMILESCc1cc(Cc2ccc(NC(=O)c3cccc4ccccc34)c(C)c2)ccc1NC(=O)c1cccc2ccccc12
InChIInChI=1S/C37H30N2O2/c1-24-21-26(17-19-34(24)38-36(40)32-15-7-11-28-9-3-5-13-30(28)32)23-27-18-20-35(25(2)22-27)39-37(41)33-16-8-12-29-10-4-6-14-31(29)33/h3-22H,23H2,1-2H3,(H,38,40)(H,39,41)
InChIKeyMHGGNRVEVPSERQ-UHFFFAOYSA-N
MW534.66 g/mol
LogP8.71
Rot. Bonds6

About N-[2-methyl-4-[[3-methyl-4-(naphthalene-1-carbonylamino)phenyl]methyl]phenyl]naphthalene-1-carboxamide

N-[2-methyl-4-[[3-methyl-4-(naphthalene-1-carbonylamino)phenyl]methyl]phenyl]naphthalene-1-carboxamide (PubChem CID 2179862) has the molecular formula C37H30N2O2 and a molecular weight of 534.66 g/mol. Its IUPAC name is N-[2-methyl-4-[[3-methyl-4-(naphthalene-1-carbonylamino)phenyl]methyl]phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-4-[[3-methyl-4-(naphthalene-1-carbonylamino)phenyl]methyl]phenyl]naphthalene-1-carboxamide
PubChem CID2179862
Molecular FormulaC37H30N2O2
Molecular Weight534.66 g/mol
Exact Mass534.23
IUPAC NameN-[2-methyl-4-[[3-methyl-4-(naphthalene-1-carbonylamino)phenyl]methyl]phenyl]naphthalene-1-carboxamide
SMILESCc1cc(Cc2ccc(NC(=O)c3cccc4ccccc34)c(C)c2)ccc1NC(=O)c1cccc2ccccc12
InChIInChI=1S/C37H30N2O2/c1-24-21-26(17-19-34(24)38-36(40)32-15-7-11-28-9-3-5-13-30(28)32)23-27-18-20-35(25(2)22-27)39-37(41)33-16-8-12-29-10-4-6-14-31(29)33/h3-22H,23H2,1-2H3,(H,38,40)(H,39,41)
InChIKeyMHGGNRVEVPSERQ-UHFFFAOYSA-N
XLogP8.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.66
LogP ≤ 58.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dimethylphenyl)naphthalene-1-carboxamide
CID 1278696
N-(2-amino-4-methylphenyl)naphthalene-1-carboxamide
CID 43259068
ethane;5-methyl-2-(naphthalene-1-carbonylamino)benzoic acid
CID 143144416
N-(2-methoxy-4-methylphenyl)naphthalene-1-carboxamide
CID 66596351
N-[4-[(2-methylphenyl)carbamoyl]phenyl]naphthalene-1-carboxamide
CID 2988389
N-(2-iodophenyl)naphthalene-1-carboxamide
CID 11660752
N-(4,6-dimethylpyrimidin-2-yl)naphthalene-1-carboxamide
CID 966576
N-[3-chloro-4-(naphthalene-1-carbonylamino)phenyl]naphthalene-1-carboxamide
CID 2179861
N-(2-chloro-4-iodophenyl)naphthalene-1-carboxamide
CID 1370762
N-(2-fluoro-4-hydroxyphenyl)naphthalene-1-carboxamide
CID 64795170
N-(2-amino-4-hydroxyphenyl)naphthalene-1-carboxamide
CID 107697510
2-fluoro-3-methyl-N-naphthalen-1-ylbenzamide
CID 80710420

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-[[3-methyl-4-(naphthalene-1-carbonylamino)phenyl]methyl]phenyl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-methyl-4-[[3-methyl-4-(naphthalene-1-carbonylamino)phenyl]methyl]phenyl]naphthalene-1-carboxamide (CID 2179862) is N-[2-methyl-4-[[3-methyl-4-(naphthalene-1-carbonylamino)phenyl]methyl]phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-methyl-4-[[3-methyl-4-(naphthalene-1-carbonylamino)phenyl]methyl]phenyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-methyl-4-[[3-methyl-4-(naphthalene-1-carbonylamino)phenyl]methyl]phenyl]naphthalene-1-carboxamide is Cc1cc(Cc2ccc(NC(=O)c3cccc4ccccc34)c(C)c2)ccc1NC(=O)c1cccc2ccccc12.
What is the InChIKey of N-[2-methyl-4-[[3-methyl-4-(naphthalene-1-carbonylamino)phenyl]methyl]phenyl]naphthalene-1-carboxamide?
The InChIKey is MHGGNRVEVPSERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30N2O2/c1-24-21-26(17-19-34(24)38-36(40)32-15-7-11-28-9-3-5-13-30(28)32)23-27-18-20-35(25(2)22-27)39-37(41)33-16-8-12-29-10-4-6-14-31(29)33/h3-22H,23H2,1-2H3,(H,38,40)(H,39,41).
What are the key properties of N-[2-methyl-4-[[3-methyl-4-(naphthalene-1-carbonylamino)phenyl]methyl]phenyl]naphthalene-1-carboxamide?
N-[2-methyl-4-[[3-methyl-4-(naphthalene-1-carbonylamino)phenyl]methyl]phenyl]naphthalene-1-carboxamide has a molecular weight of 534.66 g/mol, XLogP of 8.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-[[3-methyl-4-(naphthalene-1-carbonylamino)phenyl]methyl]phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 2179862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).