benzene;(2S)-1-cyclohexyl-N-methylpropan-2-amine;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione

C28H39N3O3 — CID 174876290

IUPACbenzene;(2S)-1-cyclohexyl-N-methylpropan-2-amine;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(c2ccccc2)C(=O)NC(=O)NC1=O.CN[C@@H](C)CC1CCCCC1.c1ccccc1
InChIInChI=1S/C12H12N2O3.C10H21N.C6H6/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;1-9(11-2)8-10-6-4-3-5-7-10;1-2-4-6-5-3-1/h3-7H,2H2,1H3,(H2,13,14,15,16,17);9-11H,3-8H2,1-2H3;1-6H/t;9-;/m.0./s1
InChIKeyJDUNTCZGMIJGRQ-QKWFRNNBSA-N
MW465.64 g/mol
LogP4.95
Rot. Bonds5

About benzene;(2S)-1-cyclohexyl-N-methylpropan-2-amine;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione

benzene;(2S)-1-cyclohexyl-N-methylpropan-2-amine;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione (PubChem CID 174876290) has the molecular formula C28H39N3O3 and a molecular weight of 465.64 g/mol. Its IUPAC name is benzene;(2S)-1-cyclohexyl-N-methylpropan-2-amine;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Namebenzene;(2S)-1-cyclohexyl-N-methylpropan-2-amine;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
PubChem CID174876290
Molecular FormulaC28H39N3O3
Molecular Weight465.64 g/mol
Exact Mass465.30
IUPAC Namebenzene;(2S)-1-cyclohexyl-N-methylpropan-2-amine;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(c2ccccc2)C(=O)NC(=O)NC1=O.CN[C@@H](C)CC1CCCCC1.c1ccccc1
InChIInChI=1S/C12H12N2O3.C10H21N.C6H6/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;1-9(11-2)8-10-6-4-3-5-7-10;1-2-4-6-5-3-1/h3-7H,2H2,1H3,(H2,13,14,15,16,17);9-11H,3-8H2,1-2H3;1-6H/t;9-;/m.0./s1
InChIKeyJDUNTCZGMIJGRQ-QKWFRNNBSA-N
XLogP4.95
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.64
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1,4-dioxane;bis(5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione)
CID 139042175
tetrakis(1,4-dioxane);tetrakis(5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione)
CID 139042176
N-(1-cyclopentylpropan-2-yl)aniline
CID 135004448
1-cycloheptyl-N-methyl-3-phenylpropan-2-amine
CID 114458143
1-cyclohexyl-N-methyl-3-phenoxypropan-2-amine
CID 62716713
1-cyclohexyl-N-methyl-4-phenoxybutan-2-amine
CID 62608476
N-benzyl-1-cyclopentylpropan-2-amine
CID 71379591
2-cyclopropyl-N-methyl-1-(1-phenylcyclohexyl)ethanamine
CID 64904456
1-cyclohexyl-N-methyl-1-(1-phenylcyclohexyl)methanamine
CID 63418165
5-ethyl-5-phenyl-6-propan-2-yloxypyrimidine-2,4-dione
CID 3069867
5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 89444429
N-[2-cyclopentyl-1-(1-phenylcyclobutyl)ethyl]propan-1-amine
CID 63417932

Frequently Asked Questions

What is the IUPAC name of benzene;(2S)-1-cyclohexyl-N-methylpropan-2-amine;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of benzene;(2S)-1-cyclohexyl-N-methylpropan-2-amine;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione (CID 174876290) is benzene;(2S)-1-cyclohexyl-N-methylpropan-2-amine;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for benzene;(2S)-1-cyclohexyl-N-methylpropan-2-amine;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for benzene;(2S)-1-cyclohexyl-N-methylpropan-2-amine;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione is CCC1(c2ccccc2)C(=O)NC(=O)NC1=O.CN[C@@H](C)CC1CCCCC1.c1ccccc1.
What is the InChIKey of benzene;(2S)-1-cyclohexyl-N-methylpropan-2-amine;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione?
The InChIKey is JDUNTCZGMIJGRQ-QKWFRNNBSA-N. The full InChI is InChI=1S/C12H12N2O3.C10H21N.C6H6/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;1-9(11-2)8-10-6-4-3-5-7-10;1-2-4-6-5-3-1/h3-7H,2H2,1H3,(H2,13,14,15,16,17);9-11H,3-8H2,1-2H3;1-6H/t;9-;/m.0./s1.
What are the key properties of benzene;(2S)-1-cyclohexyl-N-methylpropan-2-amine;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione?
benzene;(2S)-1-cyclohexyl-N-methylpropan-2-amine;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione has a molecular weight of 465.64 g/mol, XLogP of 4.95, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;(2S)-1-cyclohexyl-N-methylpropan-2-amine;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 174876290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).