N-[(1S)-2-[6-[(2S)-2-formamido-2-phenylethoxy]hexoxy]-1-phenylethyl]formamide

C24H32N2O4 — CID 155137580

IUPACN-[(1S)-2-[6-[(2S)-2-formamido-2-phenylethoxy]hexoxy]-1-phenylethyl]formamide
SMILESO=CN[C@H](COCCCCCCOC[C@@H](NC=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H32N2O4/c27-19-25-23(21-11-5-3-6-12-21)17-29-15-9-1-2-10-16-30-18-24(26-20-28)22-13-7-4-8-14-22/h3-8,11-14,19-20,23-24H,1-2,9-10,15-18H2,(H,25,27)(H,26,28)/t23-,24-/m1/s1
InChIKeyHGZLBVHFKKWAOL-DNQXCXABSA-N
MW412.53 g/mol
LogP3.55
Rot. Bonds17

About N-[(1S)-2-[6-[(2S)-2-formamido-2-phenylethoxy]hexoxy]-1-phenylethyl]formamide

N-[(1S)-2-[6-[(2S)-2-formamido-2-phenylethoxy]hexoxy]-1-phenylethyl]formamide (PubChem CID 155137580) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-[(1S)-2-[6-[(2S)-2-formamido-2-phenylethoxy]hexoxy]-1-phenylethyl]formamide.

Molecular Properties

Compound NameN-[(1S)-2-[6-[(2S)-2-formamido-2-phenylethoxy]hexoxy]-1-phenylethyl]formamide
PubChem CID155137580
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC NameN-[(1S)-2-[6-[(2S)-2-formamido-2-phenylethoxy]hexoxy]-1-phenylethyl]formamide
SMILESO=CN[C@H](COCCCCCCOC[C@@H](NC=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H32N2O4/c27-19-25-23(21-11-5-3-6-12-21)17-29-15-9-1-2-10-16-30-18-24(26-20-28)22-13-7-4-8-14-22/h3-8,11-14,19-20,23-24H,1-2,9-10,15-18H2,(H,25,27)(H,26,28)/t23-,24-/m1/s1
InChIKeyHGZLBVHFKKWAOL-DNQXCXABSA-N
XLogP3.55
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 63475443
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CID 87925374
N-ethyl-2-[3-(2-methoxyethoxy)propoxy]-1-phenylethanamine
CID 103401642
N-(1-phenyl-2-pyridin-2-ylethyl)formamide
CID 57000523
1-octoxypropan-2-ylbenzene
CID 77473849
N-[2-hydroxy-1-(4-phenylphenyl)ethyl]formamide
CID 170955865
N-[(1R)-2-(4-chlorophenyl)sulfanyl-1-phenylethyl]formamide
CID 124926697
N-[1-(4-ethynylphenyl)-2-methoxyethyl]formamide
CID 167520118
(2S)-3-methyl-N-[5-[[[(2R)-3-methyl-2-phenylbutanoyl]amino]methoxy]pentoxymethyl]-2-phenylbutanamide
CID 122660055
[(2S)-3,4-dimethyl-1-[6-[(2S)-3-methyl-2-phenylbutoxy]hexoxy]pentan-2-yl]benzene
CID 167001988
(3R)-3-(octadecoxymethyl)-4-phenylmethoxybutanal
CID 163435782
2-pentoxy-1-phenylethanamine
CID 43275081

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-[6-[(2S)-2-formamido-2-phenylethoxy]hexoxy]-1-phenylethyl]formamide?
The IUPAC name of N-[(1S)-2-[6-[(2S)-2-formamido-2-phenylethoxy]hexoxy]-1-phenylethyl]formamide (CID 155137580) is N-[(1S)-2-[6-[(2S)-2-formamido-2-phenylethoxy]hexoxy]-1-phenylethyl]formamide.
What is the SMILES notation for N-[(1S)-2-[6-[(2S)-2-formamido-2-phenylethoxy]hexoxy]-1-phenylethyl]formamide?
The canonical SMILES for N-[(1S)-2-[6-[(2S)-2-formamido-2-phenylethoxy]hexoxy]-1-phenylethyl]formamide is O=CN[C@H](COCCCCCCOC[C@@H](NC=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1S)-2-[6-[(2S)-2-formamido-2-phenylethoxy]hexoxy]-1-phenylethyl]formamide?
The InChIKey is HGZLBVHFKKWAOL-DNQXCXABSA-N. The full InChI is InChI=1S/C24H32N2O4/c27-19-25-23(21-11-5-3-6-12-21)17-29-15-9-1-2-10-16-30-18-24(26-20-28)22-13-7-4-8-14-22/h3-8,11-14,19-20,23-24H,1-2,9-10,15-18H2,(H,25,27)(H,26,28)/t23-,24-/m1/s1.
What are the key properties of N-[(1S)-2-[6-[(2S)-2-formamido-2-phenylethoxy]hexoxy]-1-phenylethyl]formamide?
N-[(1S)-2-[6-[(2S)-2-formamido-2-phenylethoxy]hexoxy]-1-phenylethyl]formamide has a molecular weight of 412.53 g/mol, XLogP of 3.55, 17 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-[6-[(2S)-2-formamido-2-phenylethoxy]hexoxy]-1-phenylethyl]formamide is sourced from PubChem (CID 155137580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).