N-[4-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cycloheptyl]phenyl]acetamide

C27H32N2O — CID 59617302

IUPACN-[4-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cycloheptyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2CCCCC(N[C@H](C)c3cccc4ccccc34)C2)cc1
InChIInChI=1S/C27H32N2O/c1-19(26-13-7-10-22-8-4-6-12-27(22)26)28-25-11-5-3-9-23(18-25)21-14-16-24(17-15-21)29-20(2)30/h4,6-8,10,12-17,19,23,25,28H,3,5,9,11,18H2,1-2H3,(H,29,30)/t19-,23?,25?/m1/s1
InChIKeyMSTNMSBYQCHXQN-KPSOWUDTSA-N
MW400.57 g/mol
LogP6.57
Rot. Bonds5

About N-[4-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cycloheptyl]phenyl]acetamide

N-[4-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cycloheptyl]phenyl]acetamide (PubChem CID 59617302) has the molecular formula C27H32N2O and a molecular weight of 400.57 g/mol. Its IUPAC name is N-[4-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cycloheptyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cycloheptyl]phenyl]acetamide
PubChem CID59617302
Molecular FormulaC27H32N2O
Molecular Weight400.57 g/mol
Exact Mass400.25
IUPAC NameN-[4-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cycloheptyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2CCCCC(N[C@H](C)c3cccc4ccccc34)C2)cc1
InChIInChI=1S/C27H32N2O/c1-19(26-13-7-10-22-8-4-6-12-27(22)26)28-25-11-5-3-9-23(18-25)21-14-16-24(17-15-21)29-20(2)30/h4,6-8,10,12-17,19,23,25,28H,3,5,9,11,18H2,1-2H3,(H,29,30)/t19-,23?,25?/m1/s1
InChIKeyMSTNMSBYQCHXQN-KPSOWUDTSA-N
XLogP6.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.57
LogP ≤ 56.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-hydroxy-4-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]benzamide
CID 42624000
N-methyl-4-[(1S,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]benzamide
CID 141396256
2-[4-[(1S,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]phenyl]acetic acid
CID 59617292
[4-[(1S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]phenyl]methanol
CID 42624182
3-(4-iodophenyl)-N-(1-naphthalen-1-ylethyl)cyclohexan-1-amine
CID 68779176
4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]benzoic acid
CID 68781148
4-[(1S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]benzoic acid
CID 59617339
4-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]-N-(2-sulfanylethyl)benzamide
CID 42623590
N-[(2-methylpropan-2-yl)oxy]-4-[(1S,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]benzamide
CID 59617218
2-[4-[(1R,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenoxy]propanoyl chloride
CID 142764374
5-[[4-[3-(1-naphthalen-1-ylethylamino)cyclohexyl]benzoyl]amino]pyridine-3-carboxylic acid
CID 71016043
ethyl 2-[4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]anilino]acetate
CID 77261600

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cycloheptyl]phenyl]acetamide?
The IUPAC name of N-[4-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cycloheptyl]phenyl]acetamide (CID 59617302) is N-[4-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cycloheptyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cycloheptyl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cycloheptyl]phenyl]acetamide is CC(=O)Nc1ccc(C2CCCCC(N[C@H](C)c3cccc4ccccc34)C2)cc1.
What is the InChIKey of N-[4-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cycloheptyl]phenyl]acetamide?
The InChIKey is MSTNMSBYQCHXQN-KPSOWUDTSA-N. The full InChI is InChI=1S/C27H32N2O/c1-19(26-13-7-10-22-8-4-6-12-27(22)26)28-25-11-5-3-9-23(18-25)21-14-16-24(17-15-21)29-20(2)30/h4,6-8,10,12-17,19,23,25,28H,3,5,9,11,18H2,1-2H3,(H,29,30)/t19-,23?,25?/m1/s1.
What are the key properties of N-[4-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cycloheptyl]phenyl]acetamide?
N-[4-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cycloheptyl]phenyl]acetamide has a molecular weight of 400.57 g/mol, XLogP of 6.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cycloheptyl]phenyl]acetamide is sourced from PubChem (CID 59617302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).