benzyl N-[(3S)-2-(2-benzylhydrazinyl)-4,4-dimethylpent-1-en-3-yl]carbamate

C22H29N3O2 — CID 89192593

IUPACbenzyl N-[(3S)-2-(2-benzylhydrazinyl)-4,4-dimethylpent-1-en-3-yl]carbamate
SMILESC=C(NNCc1ccccc1)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C
InChIInChI=1S/C22H29N3O2/c1-17(25-23-15-18-11-7-5-8-12-18)20(22(2,3)4)24-21(26)27-16-19-13-9-6-10-14-19/h5-14,20,23,25H,1,15-16H2,2-4H3,(H,24,26)/t20-/m1/s1
InChIKeyONYZDFUUDOTHLJ-HXUWFJFHSA-N
MW367.49 g/mol
LogP4.14
Rot. Bonds8

About benzyl N-[(3S)-2-(2-benzylhydrazinyl)-4,4-dimethylpent-1-en-3-yl]carbamate

benzyl N-[(3S)-2-(2-benzylhydrazinyl)-4,4-dimethylpent-1-en-3-yl]carbamate (PubChem CID 89192593) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is benzyl N-[(3S)-2-(2-benzylhydrazinyl)-4,4-dimethylpent-1-en-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(3S)-2-(2-benzylhydrazinyl)-4,4-dimethylpent-1-en-3-yl]carbamate
PubChem CID89192593
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Namebenzyl N-[(3S)-2-(2-benzylhydrazinyl)-4,4-dimethylpent-1-en-3-yl]carbamate
SMILESC=C(NNCc1ccccc1)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C
InChIInChI=1S/C22H29N3O2/c1-17(25-23-15-18-11-7-5-8-12-18)20(22(2,3)4)24-21(26)27-16-19-13-9-6-10-14-19/h5-14,20,23,25H,1,15-16H2,2-4H3,(H,24,26)/t20-/m1/s1
InChIKeyONYZDFUUDOTHLJ-HXUWFJFHSA-N
XLogP4.14
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl N-[(3S)-2-[2-[(4-bromophenyl)methyl]hydrazinyl]-4,4-dimethylpent-1-en-3-yl]carbamate
CID 89192567
benzyl N-[(2S)-1-(benzhydrylamino)-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 18667067
ethyl 3-hydroxy-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 57331908
3-methyl-2-(phenylmethoxycarbonylamino)-3-sulfanylbutanoic acid
CID 19702969
methyl 3,3-dimethyl-2-(phenylmethoxycarbonylamino)pent-4-enoate
CID 15295900
benzyl N-[(2S)-3,3-dimethyl-1-phenylbutan-2-yl]carbamate
CID 59064326
methyl 3,3,3-trifluoro-2-(phenylmethoxycarbonylamino)propanoate
CID 11077150
(2S)-3,3-dimethyl-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]butanoic acid
CID 70836748
(2S,3S)-2-tert-butyl-3-(phenylmethoxycarbonylamino)butanedioic acid
CID 70070486
(2S)-2-tert-butyl-3-(phenylmethoxycarbonylamino)butanedioic acid
CID 87673023
benzyl N-(3-methylbutan-2-yl)carbamate;ethane
CID 145481818
benzyl (2S)-3,3-dimethyl-2-(pentan-3-yloxycarbonylamino)butanoate
CID 10497026

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3S)-2-(2-benzylhydrazinyl)-4,4-dimethylpent-1-en-3-yl]carbamate?
The IUPAC name of benzyl N-[(3S)-2-(2-benzylhydrazinyl)-4,4-dimethylpent-1-en-3-yl]carbamate (CID 89192593) is benzyl N-[(3S)-2-(2-benzylhydrazinyl)-4,4-dimethylpent-1-en-3-yl]carbamate.
What is the SMILES notation for benzyl N-[(3S)-2-(2-benzylhydrazinyl)-4,4-dimethylpent-1-en-3-yl]carbamate?
The canonical SMILES for benzyl N-[(3S)-2-(2-benzylhydrazinyl)-4,4-dimethylpent-1-en-3-yl]carbamate is C=C(NNCc1ccccc1)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C.
What is the InChIKey of benzyl N-[(3S)-2-(2-benzylhydrazinyl)-4,4-dimethylpent-1-en-3-yl]carbamate?
The InChIKey is ONYZDFUUDOTHLJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-17(25-23-15-18-11-7-5-8-12-18)20(22(2,3)4)24-21(26)27-16-19-13-9-6-10-14-19/h5-14,20,23,25H,1,15-16H2,2-4H3,(H,24,26)/t20-/m1/s1.
What are the key properties of benzyl N-[(3S)-2-(2-benzylhydrazinyl)-4,4-dimethylpent-1-en-3-yl]carbamate?
benzyl N-[(3S)-2-(2-benzylhydrazinyl)-4,4-dimethylpent-1-en-3-yl]carbamate has a molecular weight of 367.49 g/mol, XLogP of 4.14, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3S)-2-(2-benzylhydrazinyl)-4,4-dimethylpent-1-en-3-yl]carbamate is sourced from PubChem (CID 89192593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).