N-[anilino-[2-[2-[2-(dianilinophosphorylamino)ethoxy]ethoxy]ethylamino]phosphoryl]aniline

C30H38N6O4P2 — CID 177432556

IUPACN-[anilino-[2-[2-[2-(dianilinophosphorylamino)ethoxy]ethoxy]ethylamino]phosphoryl]aniline
SMILESO=P(NCCOCCOCCNP(=O)(Nc1ccccc1)Nc1ccccc1)(Nc1ccccc1)Nc1ccccc1
InChIInChI=1S/C30H38N6O4P2/c37-41(33-27-13-5-1-6-14-27,34-28-15-7-2-8-16-28)31-21-23-39-25-26-40-24-22-32-42(38,35-29-17-9-3-10-18-29)36-30-19-11-4-12-20-30/h1-20H,21-26H2,(H3,31,33,34,37)(H3,32,35,36,38)
InChIKeyNFFIPUPNIQRKCA-UHFFFAOYSA-N
MW608.62 g/mol
LogP6.86
Rot. Bonds19

About N-[anilino-[2-[2-[2-(dianilinophosphorylamino)ethoxy]ethoxy]ethylamino]phosphoryl]aniline

N-[anilino-[2-[2-[2-(dianilinophosphorylamino)ethoxy]ethoxy]ethylamino]phosphoryl]aniline (PubChem CID 177432556) has the molecular formula C30H38N6O4P2 and a molecular weight of 608.62 g/mol. Its IUPAC name is N-[anilino-[2-[2-[2-(dianilinophosphorylamino)ethoxy]ethoxy]ethylamino]phosphoryl]aniline.

Molecular Properties

Compound NameN-[anilino-[2-[2-[2-(dianilinophosphorylamino)ethoxy]ethoxy]ethylamino]phosphoryl]aniline
PubChem CID177432556
Molecular FormulaC30H38N6O4P2
Molecular Weight608.62 g/mol
Exact Mass608.24
IUPAC NameN-[anilino-[2-[2-[2-(dianilinophosphorylamino)ethoxy]ethoxy]ethylamino]phosphoryl]aniline
SMILESO=P(NCCOCCOCCNP(=O)(Nc1ccccc1)Nc1ccccc1)(Nc1ccccc1)Nc1ccccc1
InChIInChI=1S/C30H38N6O4P2/c37-41(33-27-13-5-1-6-14-27,34-28-15-7-2-8-16-28)31-21-23-39-25-26-40-24-22-32-42(38,35-29-17-9-3-10-18-29)36-30-19-11-4-12-20-30/h1-20H,21-26H2,(H3,31,33,34,37)(H3,32,35,36,38)
InChIKeyNFFIPUPNIQRKCA-UHFFFAOYSA-N
XLogP6.86
TPSA124.78 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500608.62
LogP ≤ 56.86
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[bis(propylamino)phosphoryl]aniline
CID 154418549
2-(2-anilinoethoxy)ethyl formate
CID 102065077
2-[2-(2-anilinoethoxy)ethoxy]acetic acid
CID 101429259
N-[2-(2-ethoxyethoxy)ethyl]aniline
CID 23009140
2-(2-anilinoethoxy)ethyl acetate
CID 102065081
N-[2-(2-butoxyethoxy)ethyl]aniline
CID 55093379
2-[2-(phenylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate
CID 4644419
N-phenylmethoxy-2-[2-[2-(phenylmethoxyamino)ethoxy]ethoxy]ethanamine
CID 10522538
N-[2-[2-(2-chloroethoxy)ethoxy]ethyl]benzamide
CID 126723293
2-(2-methoxyethoxy)acetaldehyde;N-methylaniline
CID 142275920
2-(2-anilinoethoxy)ethyl butanoate
CID 102065089
CID 67826545
CID 67826545

Frequently Asked Questions

What is the IUPAC name of N-[anilino-[2-[2-[2-(dianilinophosphorylamino)ethoxy]ethoxy]ethylamino]phosphoryl]aniline?
The IUPAC name of N-[anilino-[2-[2-[2-(dianilinophosphorylamino)ethoxy]ethoxy]ethylamino]phosphoryl]aniline (CID 177432556) is N-[anilino-[2-[2-[2-(dianilinophosphorylamino)ethoxy]ethoxy]ethylamino]phosphoryl]aniline.
What is the SMILES notation for N-[anilino-[2-[2-[2-(dianilinophosphorylamino)ethoxy]ethoxy]ethylamino]phosphoryl]aniline?
The canonical SMILES for N-[anilino-[2-[2-[2-(dianilinophosphorylamino)ethoxy]ethoxy]ethylamino]phosphoryl]aniline is O=P(NCCOCCOCCNP(=O)(Nc1ccccc1)Nc1ccccc1)(Nc1ccccc1)Nc1ccccc1.
What is the InChIKey of N-[anilino-[2-[2-[2-(dianilinophosphorylamino)ethoxy]ethoxy]ethylamino]phosphoryl]aniline?
The InChIKey is NFFIPUPNIQRKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N6O4P2/c37-41(33-27-13-5-1-6-14-27,34-28-15-7-2-8-16-28)31-21-23-39-25-26-40-24-22-32-42(38,35-29-17-9-3-10-18-29)36-30-19-11-4-12-20-30/h1-20H,21-26H2,(H3,31,33,34,37)(H3,32,35,36,38).
What are the key properties of N-[anilino-[2-[2-[2-(dianilinophosphorylamino)ethoxy]ethoxy]ethylamino]phosphoryl]aniline?
N-[anilino-[2-[2-[2-(dianilinophosphorylamino)ethoxy]ethoxy]ethylamino]phosphoryl]aniline has a molecular weight of 608.62 g/mol, XLogP of 6.86, 19 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[anilino-[2-[2-[2-(dianilinophosphorylamino)ethoxy]ethoxy]ethylamino]phosphoryl]aniline is sourced from PubChem (CID 177432556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).