N-[(2S)-3-methyl-1-phenylmethoxybutan-2-yl]-N-(4-methyl-1-phenylpent-1-yn-3-yl)hydroxylamine

C24H31NO2 — CID 101462791

IUPACN-[(2S)-3-methyl-1-phenylmethoxybutan-2-yl]-N-(4-methyl-1-phenylpent-1-yn-3-yl)hydroxylamine
SMILESCC(C)C(C#Cc1ccccc1)N(O)[C@H](COCc1ccccc1)C(C)C
InChIInChI=1S/C24H31NO2/c1-19(2)23(16-15-21-11-7-5-8-12-21)25(26)24(20(3)4)18-27-17-22-13-9-6-10-14-22/h5-14,19-20,23-24,26H,17-18H2,1-4H3/t23?,24-/m1/s1
InChIKeyLCAZGKNKCOJDEE-XMMISQBUSA-N
MW365.52 g/mol
LogP5.00
Rot. Bonds8

About N-[(2S)-3-methyl-1-phenylmethoxybutan-2-yl]-N-(4-methyl-1-phenylpent-1-yn-3-yl)hydroxylamine

N-[(2S)-3-methyl-1-phenylmethoxybutan-2-yl]-N-(4-methyl-1-phenylpent-1-yn-3-yl)hydroxylamine (PubChem CID 101462791) has the molecular formula C24H31NO2 and a molecular weight of 365.52 g/mol. Its IUPAC name is N-[(2S)-3-methyl-1-phenylmethoxybutan-2-yl]-N-(4-methyl-1-phenylpent-1-yn-3-yl)hydroxylamine.

Molecular Properties

Compound NameN-[(2S)-3-methyl-1-phenylmethoxybutan-2-yl]-N-(4-methyl-1-phenylpent-1-yn-3-yl)hydroxylamine
PubChem CID101462791
Molecular FormulaC24H31NO2
Molecular Weight365.52 g/mol
Exact Mass365.24
IUPAC NameN-[(2S)-3-methyl-1-phenylmethoxybutan-2-yl]-N-(4-methyl-1-phenylpent-1-yn-3-yl)hydroxylamine
SMILESCC(C)C(C#Cc1ccccc1)N(O)[C@H](COCc1ccccc1)C(C)C
InChIInChI=1S/C24H31NO2/c1-19(2)23(16-15-21-11-7-5-8-12-21)25(26)24(20(3)4)18-27-17-22-13-9-6-10-14-22/h5-14,19-20,23-24,26H,17-18H2,1-4H3/t23?,24-/m1/s1
InChIKeyLCAZGKNKCOJDEE-XMMISQBUSA-N
XLogP5.00
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-4-(4-methylphenyl)-1-phenylmethoxybut-3-yn-2-ol
CID 14447497
tert-butyl (4S)-4-[hydroxy-[(2R)-3-methyl-1-phenylmethoxybutan-2-yl]amino]-6-methylhept-2-ynoate
CID 11441056
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
(2R)-3,3-dimethyl-5-phenyl-1-phenylmethoxypent-4-yn-2-ol
CID 134940359
N-[(1R)-1-phenylethyl]-N-[(1S)-1-phenyl-2-phenylmethoxyethyl]hydroxylamine
CID 134926219
N-benzyl-N-(4,4-dimethyl-1-phenylpent-1-yn-3-yl)hydroxylamine
CID 102461679
(2R)-N,N-dimethyl-1-phenylmethoxypropan-2-amine
CID 165125005
(2-ethyl-3-methylbutoxy)methylbenzene
CID 90754542
2-phenylmethoxyethane-1,1-diol
CID 59866645
(2S,4R,6S)-2,4,6-trimethyl-7-phenylmethoxyheptan-1-ol
CID 134854729
[3-methyl-2-(propan-2-ylsulfanylmethyl)butoxy]methylbenzene
CID 172547820
N-[(1S)-1-phenyl-2-phenylmethoxyethyl]-N-[(1S)-1-phenylpropyl]hydroxylamine
CID 14642401

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methyl-1-phenylmethoxybutan-2-yl]-N-(4-methyl-1-phenylpent-1-yn-3-yl)hydroxylamine?
The IUPAC name of N-[(2S)-3-methyl-1-phenylmethoxybutan-2-yl]-N-(4-methyl-1-phenylpent-1-yn-3-yl)hydroxylamine (CID 101462791) is N-[(2S)-3-methyl-1-phenylmethoxybutan-2-yl]-N-(4-methyl-1-phenylpent-1-yn-3-yl)hydroxylamine.
What is the SMILES notation for N-[(2S)-3-methyl-1-phenylmethoxybutan-2-yl]-N-(4-methyl-1-phenylpent-1-yn-3-yl)hydroxylamine?
The canonical SMILES for N-[(2S)-3-methyl-1-phenylmethoxybutan-2-yl]-N-(4-methyl-1-phenylpent-1-yn-3-yl)hydroxylamine is CC(C)C(C#Cc1ccccc1)N(O)[C@H](COCc1ccccc1)C(C)C.
What is the InChIKey of N-[(2S)-3-methyl-1-phenylmethoxybutan-2-yl]-N-(4-methyl-1-phenylpent-1-yn-3-yl)hydroxylamine?
The InChIKey is LCAZGKNKCOJDEE-XMMISQBUSA-N. The full InChI is InChI=1S/C24H31NO2/c1-19(2)23(16-15-21-11-7-5-8-12-21)25(26)24(20(3)4)18-27-17-22-13-9-6-10-14-22/h5-14,19-20,23-24,26H,17-18H2,1-4H3/t23?,24-/m1/s1.
What are the key properties of N-[(2S)-3-methyl-1-phenylmethoxybutan-2-yl]-N-(4-methyl-1-phenylpent-1-yn-3-yl)hydroxylamine?
N-[(2S)-3-methyl-1-phenylmethoxybutan-2-yl]-N-(4-methyl-1-phenylpent-1-yn-3-yl)hydroxylamine has a molecular weight of 365.52 g/mol, XLogP of 5.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methyl-1-phenylmethoxybutan-2-yl]-N-(4-methyl-1-phenylpent-1-yn-3-yl)hydroxylamine is sourced from PubChem (CID 101462791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).