2-[(4-morpholin-4-ylphenyl)methylamino]ethyl carbamate

C14H21N3O3 — CID 83210921

IUPAC2-[(4-morpholin-4-ylphenyl)methylamino]ethyl carbamate
SMILESNC(=O)OCCNCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C14H21N3O3/c15-14(18)20-8-5-16-11-12-1-3-13(4-2-12)17-6-9-19-10-7-17/h1-4,16H,5-11H2,(H2,15,18)
InChIKeyLZORADVBFVZDCH-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.71
Rot. Bonds6

About 2-[(4-morpholin-4-ylphenyl)methylamino]ethyl carbamate

2-[(4-morpholin-4-ylphenyl)methylamino]ethyl carbamate (PubChem CID 83210921) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[(4-morpholin-4-ylphenyl)methylamino]ethyl carbamate.

Molecular Properties

Compound Name2-[(4-morpholin-4-ylphenyl)methylamino]ethyl carbamate
PubChem CID83210921
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[(4-morpholin-4-ylphenyl)methylamino]ethyl carbamate
SMILESNC(=O)OCCNCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C14H21N3O3/c15-14(18)20-8-5-16-11-12-1-3-13(4-2-12)17-6-9-19-10-7-17/h1-4,16H,5-11H2,(H2,15,18)
InChIKeyLZORADVBFVZDCH-UHFFFAOYSA-N
XLogP0.71
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4-morpholin-4-ylphenyl)methylurea
CID 142276122
N,N-dimethyl-3-[(4-morpholin-4-ylphenyl)methylamino]propanamide
CID 60926491
(E)-N-[(4-morpholin-4-ylphenyl)methyl]pent-3-en-1-amine
CID 115629182
4-[(4-pyrrolidin-1-ylphenyl)methylamino]butanamide
CID 60864122
N-methyl-2-[(4-morpholin-4-ylphenyl)methylamino]ethanesulfonamide
CID 102674921
2-[4-[(2-carbamoyloxyethylamino)methyl]phenyl]propanoic acid
CID 103262203
2-cyclobutyl-N-[(4-morpholin-4-ylphenyl)methyl]ethanamine
CID 115690242
2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]ethyl carbamate
CID 83211507
4-[(2-morpholin-4-ylethylamino)methyl]benzamide
CID 28583134
5-(4-morpholin-4-ylphenyl)pentanamide
CID 155168497
N-[(4-morpholin-4-ylphenyl)methyl]but-2-yn-1-amine
CID 113342036
3-methyl-1-[(4-morpholin-4-ylphenyl)methylamino]butan-2-ol
CID 111422027

Frequently Asked Questions

What is the IUPAC name of 2-[(4-morpholin-4-ylphenyl)methylamino]ethyl carbamate?
The IUPAC name of 2-[(4-morpholin-4-ylphenyl)methylamino]ethyl carbamate (CID 83210921) is 2-[(4-morpholin-4-ylphenyl)methylamino]ethyl carbamate.
What is the SMILES notation for 2-[(4-morpholin-4-ylphenyl)methylamino]ethyl carbamate?
The canonical SMILES for 2-[(4-morpholin-4-ylphenyl)methylamino]ethyl carbamate is NC(=O)OCCNCc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-[(4-morpholin-4-ylphenyl)methylamino]ethyl carbamate?
The InChIKey is LZORADVBFVZDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c15-14(18)20-8-5-16-11-12-1-3-13(4-2-12)17-6-9-19-10-7-17/h1-4,16H,5-11H2,(H2,15,18).
What are the key properties of 2-[(4-morpholin-4-ylphenyl)methylamino]ethyl carbamate?
2-[(4-morpholin-4-ylphenyl)methylamino]ethyl carbamate has a molecular weight of 279.34 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-morpholin-4-ylphenyl)methylamino]ethyl carbamate is sourced from PubChem (CID 83210921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).