[4-[bis(2-methoxyethyl)amino]phenyl] N-pentan-2-ylcarbamate

C18H30N2O4 — CID 20812634

IUPAC[4-[bis(2-methoxyethyl)amino]phenyl] N-pentan-2-ylcarbamate
SMILESCCCC(C)NC(=O)Oc1ccc(N(CCOC)CCOC)cc1
InChIInChI=1S/C18H30N2O4/c1-5-6-15(2)19-18(21)24-17-9-7-16(8-10-17)20(11-13-22-3)12-14-23-4/h7-10,15H,5-6,11-14H2,1-4H3,(H,19,21)
InChIKeyNQXLBVLKPNVVKP-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.06
Rot. Bonds11

About [4-[bis(2-methoxyethyl)amino]phenyl] N-pentan-2-ylcarbamate

[4-[bis(2-methoxyethyl)amino]phenyl] N-pentan-2-ylcarbamate (PubChem CID 20812634) has the molecular formula C18H30N2O4 and a molecular weight of 338.45 g/mol. Its IUPAC name is [4-[bis(2-methoxyethyl)amino]phenyl] N-pentan-2-ylcarbamate.

Molecular Properties

Compound Name[4-[bis(2-methoxyethyl)amino]phenyl] N-pentan-2-ylcarbamate
PubChem CID20812634
Molecular FormulaC18H30N2O4
Molecular Weight338.45 g/mol
Exact Mass338.22
IUPAC Name[4-[bis(2-methoxyethyl)amino]phenyl] N-pentan-2-ylcarbamate
SMILESCCCC(C)NC(=O)Oc1ccc(N(CCOC)CCOC)cc1
InChIInChI=1S/C18H30N2O4/c1-5-6-15(2)19-18(21)24-17-9-7-16(8-10-17)20(11-13-22-3)12-14-23-4/h7-10,15H,5-6,11-14H2,1-4H3,(H,19,21)
InChIKeyNQXLBVLKPNVVKP-UHFFFAOYSA-N
XLogP3.06
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[4-[bis(2-methoxyethyl)amino]phenoxy]carbonylamino]pentanoic acid;[4-[bis(2-methoxyethyl)amino]phenyl] N-[(2R)-pentan-2-yl]carbamate;ethane
CID 161406476
ethane;(2S)-2-[[4-[2-methoxyethyl(propyl)amino]phenoxy]carbonylamino]pentanedioic acid;[4-[2-methoxyethyl(propyl)amino]phenyl] N-[(2R)-pentan-2-yl]carbamate
CID 158542670
2-[[4-[2-methoxyethyl(propyl)amino]phenoxy]carbonylamino]pentanedioic acid
CID 20812618
[4-[bis(2-methoxyethyl)amino]phenyl] acetate;ethane
CID 91153786
(3-chlorophenyl) N-pentan-2-ylcarbamate
CID 174677253
[4-[4-(dipropylamino)phenyl]phenyl] hydrogen carbonate
CID 167031138
3-[4-methoxy-N-(2-methoxyethyl)anilino]propanamide
CID 34740045
N,N-bis(2-methoxyethyl)-4-[1-(propylamino)ethyl]aniline
CID 61418340
2,4-bis[4-[ethyl(2-methoxyethyl)amino]phenyl]pentan-3-one
CID 174404931
(2R)-2-[[4-[bis(2-iodoethyl)amino]phenoxy]carbonylamino]pentanedioic acid
CID 59325911
(2S)-2-[[4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]phenoxy]carbonylamino]pentanedioic acid
CID 10671916
4-[(1R)-1-aminoethyl]-N,N-bis(2-methoxyethyl)aniline
CID 55189419

Frequently Asked Questions

What is the IUPAC name of [4-[bis(2-methoxyethyl)amino]phenyl] N-pentan-2-ylcarbamate?
The IUPAC name of [4-[bis(2-methoxyethyl)amino]phenyl] N-pentan-2-ylcarbamate (CID 20812634) is [4-[bis(2-methoxyethyl)amino]phenyl] N-pentan-2-ylcarbamate.
What is the SMILES notation for [4-[bis(2-methoxyethyl)amino]phenyl] N-pentan-2-ylcarbamate?
The canonical SMILES for [4-[bis(2-methoxyethyl)amino]phenyl] N-pentan-2-ylcarbamate is CCCC(C)NC(=O)Oc1ccc(N(CCOC)CCOC)cc1.
What is the InChIKey of [4-[bis(2-methoxyethyl)amino]phenyl] N-pentan-2-ylcarbamate?
The InChIKey is NQXLBVLKPNVVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4/c1-5-6-15(2)19-18(21)24-17-9-7-16(8-10-17)20(11-13-22-3)12-14-23-4/h7-10,15H,5-6,11-14H2,1-4H3,(H,19,21).
What are the key properties of [4-[bis(2-methoxyethyl)amino]phenyl] N-pentan-2-ylcarbamate?
[4-[bis(2-methoxyethyl)amino]phenyl] N-pentan-2-ylcarbamate has a molecular weight of 338.45 g/mol, XLogP of 3.06, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[bis(2-methoxyethyl)amino]phenyl] N-pentan-2-ylcarbamate is sourced from PubChem (CID 20812634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).