9H-fluoren-9-ylmethyl N-[4-amino-5-(diethylamino)-5-oxopentyl]carbamate

C24H31N3O3 — CID 155761964

IUPAC9H-fluoren-9-ylmethyl N-[4-amino-5-(diethylamino)-5-oxopentyl]carbamate
SMILESCCN(CC)C(=O)C(N)CCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H31N3O3/c1-3-27(4-2)23(28)22(25)14-9-15-26-24(29)30-16-21-19-12-7-5-10-17(19)18-11-6-8-13-20(18)21/h5-8,10-13,21-22H,3-4,9,14-16,25H2,1-2H3,(H,26,29)
InChIKeyYJEMZAJZUDAHDC-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.50
Rot. Bonds9

About 9H-fluoren-9-ylmethyl N-[4-amino-5-(diethylamino)-5-oxopentyl]carbamate

9H-fluoren-9-ylmethyl N-[4-amino-5-(diethylamino)-5-oxopentyl]carbamate (PubChem CID 155761964) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[4-amino-5-(diethylamino)-5-oxopentyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[4-amino-5-(diethylamino)-5-oxopentyl]carbamate
PubChem CID155761964
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name9H-fluoren-9-ylmethyl N-[4-amino-5-(diethylamino)-5-oxopentyl]carbamate
SMILESCCN(CC)C(=O)C(N)CCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H31N3O3/c1-3-27(4-2)23(28)22(25)14-9-15-26-24(29)30-16-21-19-12-7-5-10-17(19)18-11-6-8-13-20(18)21/h5-8,10-13,21-22H,3-4,9,14-16,25H2,1-2H3,(H,26,29)
InChIKeyYJEMZAJZUDAHDC-UHFFFAOYSA-N
XLogP3.50
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
CID 7019764
methyl 2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
CID 71250242
9H-fluoren-9-ylmethyl N-(4,4-difluorobutyl)carbamate
CID 164675149
methyl 2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate;hydrochloride
CID 74765035
5-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]pentanoic acid
CID 156889446
prop-2-enyl (2S)-2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
CID 25034093
9H-fluoren-9-ylmethyl N-(6-amino-4-hydroxy-5,6-dioxohexyl)carbamate
CID 145385577
(2S)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylhexanoic acid
CID 90132724
(2S)-2-azaniumyl-5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate
CID 7019763
N,N-diethylethanamine;3-(9H-fluoren-9-ylmethoxycarbonylamino)propane-1-sulfonic acid
CID 21271314
cyclohexyl (2S)-2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
CID 151918287
9H-fluoren-9-ylmethyl N-(12-aminododecyl)carbamate
CID 139208955

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[4-amino-5-(diethylamino)-5-oxopentyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[4-amino-5-(diethylamino)-5-oxopentyl]carbamate (CID 155761964) is 9H-fluoren-9-ylmethyl N-[4-amino-5-(diethylamino)-5-oxopentyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[4-amino-5-(diethylamino)-5-oxopentyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[4-amino-5-(diethylamino)-5-oxopentyl]carbamate is CCN(CC)C(=O)C(N)CCCNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[4-amino-5-(diethylamino)-5-oxopentyl]carbamate?
The InChIKey is YJEMZAJZUDAHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-3-27(4-2)23(28)22(25)14-9-15-26-24(29)30-16-21-19-12-7-5-10-17(19)18-11-6-8-13-20(18)21/h5-8,10-13,21-22H,3-4,9,14-16,25H2,1-2H3,(H,26,29).
What are the key properties of 9H-fluoren-9-ylmethyl N-[4-amino-5-(diethylamino)-5-oxopentyl]carbamate?
9H-fluoren-9-ylmethyl N-[4-amino-5-(diethylamino)-5-oxopentyl]carbamate has a molecular weight of 409.53 g/mol, XLogP of 3.50, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[4-amino-5-(diethylamino)-5-oxopentyl]carbamate is sourced from PubChem (CID 155761964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).